5WYF

Structure of amino acid racemase, 2.12 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	59.514, 85.277, 186.566
Unit cell angles	90.00, 96.93, 90.00

Refinement procedure

Resolution	50.000 - 2.120
R-factor	0.1785
Rwork	0.176
R-free	0.22070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wya
RMSD bond length	0.015
RMSD bond angle	1.714
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.160
High resolution limit [Å]	2.120	5.750	2.120
Rmerge	0.081	0.037	0.470
Rmeas	0.088	0.041	0.516
Rpim	0.034	0.016	0.207
Number of reflections	104213
<I/σ(I)>	5.2
Completeness [%]	99.3	99.9	96.1
Redundancy	6.5	6.6	5.5
CC(1/2)		0.999	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Cadmium sulfate hydrate, Sodium acetate, Hepes