5YYC

Crystal structure of alanine racemase from Bacillus pseudofirmus (OF4)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-19
Detector	OXFORD ONYX CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	97.301, 97.314, 112.569
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.766 - 1.801
R-factor	0.1505
Rwork	0.149
R-free	0.17420
RMSD bond length	0.008
RMSD bond angle	1.067
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.058	0.586
Number of reflections	99024
<I/σ(I)>	35.796
Completeness [%]	99.8
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	1.4M sodium/potassium phosphate pH 8.2