4YSV

Structure of aminoacid racemase in apo-form

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	2014-11-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 62 2 2
Unit cell lengths	168.689, 168.689, 94.713
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.770
R-factor	0.1893
Rwork	0.187
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ysn
RMSD bond length	0.017
RMSD bond angle	1.827
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.820
High resolution limit [Å]	2.770	7.510	2.770
Rmerge	0.062	0.022	0.292
Rmeas	0.064	0.023	0.300
Rpim	0.015	0.005	0.070
Total number of observations	394124
Number of reflections	20715
<I/σ(I)>	21.2
Completeness [%]	99.9	99.5	100
Redundancy	19	19.2	17.9
CC(1/2)		1.000	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	293	NaCl, MgCl2, hexadecyltrimethylammonium bromide