4YSN

Structure of aminoacid racemase in complex with PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-29
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	59.027, 169.017, 178.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.940
R-factor	0.1494
Rwork	0.147
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eo5
RMSD bond length	0.020
RMSD bond angle	1.836
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.940	5.260	1.940
Rmerge	0.111	0.089	0.293
Total number of observations	885535
Number of reflections	132236
<I/σ(I)>	15.6
Completeness [%]	99.7	95.7	99.9
Redundancy	6.7	6.4	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	2-propanol, Mg acetate, cacodylate