7VDY

Crystal structure of O-ureidoserine racemase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-24
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	53.121, 96.051, 57.286
Unit cell angles	90.00, 92.13, 90.00

Refinement procedure

Resolution	39.670 - 2.120
R-factor	0.1682
Rwork	0.166
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gqz
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.170	49.170	2.180
High resolution limit [Å]	2.120	8.990	2.120
Rmerge	0.129	0.106	0.608
Rmeas	0.139	0.116	0.655
Rpim	0.052	0.046	0.242
Total number of observations	225765	2808	18872
Number of reflections	32385	452	2605
<I/σ(I)>	9.6	18.4	3.3
Completeness [%]	99.4	99.6	99
Redundancy	7	6.2	7.2
CC(1/2)	0.994	0.989	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	1.45 M ammonium sulfate, 10%(v/v) dioxane