1MT5

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	Other		FAAH structure in an alternate spacegroup. Solved by MAD/MIRAS phasing.

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	5	293	PEG 6000, 2,4-methyl pentanediol, sodium citrate, lithium sulphate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystal Properties
Matthews coefficient	Solvent content
2.82	56.44

Symmetry
Space Group	P 1 21 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	ADSC QUANTUM 4		2001-08-06	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	ALS BEAMLINE 5.0.2	0.97910	ALS	5.0.2

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	2.8	50		0.104	4.4		243192	173615	2	2

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	FAAH structure in an alternate spacegroup. Solved by MAD/MIRAS phasing.	2.8	141.42	243192	173616	9297	71.37	0.22062	0.2184	0.26228	RANDOM	54.594

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]
-2.23		-0.94	4.38		-2.96

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	9.736
r_mcangle_it	1.671
r_angle_refined_deg	1.587
r_scangle_it	1.422
r_mcbond_it	0.952
r_scbond_it	0.911
r_xyhbond_nbd_refined	0.157
r_symmetry_hbond_refined	0.143
r_nbd_refined	0.126
r_chiral_restr	0.121

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	9.736
r_mcangle_it	1.671
r_angle_refined_deg	1.587
r_scangle_it	1.422
r_mcbond_it	0.952
r_scbond_it	0.911
r_xyhbond_nbd_refined	0.157
r_symmetry_hbond_refined	0.143
r_nbd_refined	0.126
r_chiral_restr	0.121
r_symmetry_vdw_refined	0.095
r_bond_refined_d	0.022
r_gen_planes_refined	0.009
r_bond_other_d
r_angle_other_deg
r_dihedral_angle_2_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded