5VWR

E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)-alpha-ketoglutarate

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	2016-02-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	84.400, 155.521, 77.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.744 - 1.720
R-factor	0.1678
Rwork	0.167
R-free	0.19040
RMSD bond length	0.007
RMSD bond angle	1.138
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.750
High resolution limit [Å]	1.720	4.670	1.720
Rmerge	0.052	0.022	0.997
Rmeas	0.056	0.025
Rpim	0.027	0.012	0.530
Total number of observations	240049
Number of reflections	55946
<I/σ(I)>	10.9
Completeness [%]	99.7	96.6	99.5
Redundancy	4.3	4	4
CC(1/2)		0.998	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	25 mM potassium phosphate, 43% saturated ammonium sulfate