5WYA

Structure of amino acid racemase, 2.65 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	2016-06-25
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	61.091, 160.681, 186.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.650
R-factor	0.1777
Rwork	0.175
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.499
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.700
High resolution limit [Å]	2.650	7.190	2.650
Rmerge	0.159	0.034	0.991
Rmeas	0.174	0.037	1.095
Rpim	0.070	0.014	0.458
Number of reflections	54153
<I/σ(I)>	7.1
Completeness [%]	99.7	99.5	99.5
Redundancy	6.1	6.8	5.4
CC(1/2)		0.999	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG 3000, NaCl, Hepes