5VWO

Ornithine aminotransferase inactivated by (1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	273
Detector technology	CCD
Collection date	2015-06-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	115.305, 115.305, 187.991
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.090 - 1.773
R-factor	0.178
Rwork	0.178
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oat
RMSD bond length	0.007
RMSD bond angle	1.115
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.773	4.830	1.773
Rmerge	0.093	0.032
Rmeas	0.098	0.033
Rpim	0.039	0.011	0.793
Total number of observations	1315591
Number of reflections	216569
<I/σ(I)>	8.6
Completeness [%]	99.8	99	99
Redundancy	9.4	9.8	7.5
CC(1/2)		0.998	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	NaCl (175mM), 8-10% (v/v) PEG 6000