2YKX

Structural Determinants of the Beta-Selectivity of a Bacterial Aminotransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Collection date	2010-04-10
Spacegroup name	C 1 2 1
Unit cell lengths	183.761, 94.422, 103.729
Unit cell angles	90.00, 113.65, 90.00

Refinement procedure

Resolution	48.230 - 1.850
R-factor	0.17715
Rwork	0.176
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MES_BFAT_HOLO
RMSD bond length	0.006
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.230	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.100	0.440
Number of reflections	138206
<I/σ(I)>	8.1	2.6
Completeness [%]	99.9	100
Redundancy	2.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1