4Y0D

Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-21
Detector	RAYONIX MX-300
Wavelength(s)	0.99
Spacegroup name	P 1 21 1
Unit cell lengths	69.555, 227.280, 70.999
Unit cell angles	90.00, 108.83, 90.00

Refinement procedure

Resolution	36.120 - 2.190
R-factor	0.1701
Rwork	0.168
R-free	0.20890
RMSD bond length	0.004
RMSD bond angle	0.831
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	36.120
High resolution limit [Å]	1.630
Number of reflections	238799
<I/σ(I)>	6.6
Completeness [%]	99.7
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	0.1M ammonium acetate 0.1M bis-tris (pH: 5.5) 17% PEG 10,000