8ZR8

The Crystal Structure of Nudix Hydrolase from Bacillus methanolicus C1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	C 2 2 21
Unit cell lengths	55.993, 106.657, 194.911
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.750 - 2.110
R-factor	0.2268
Rwork	0.225
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.630
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.750	2.185
High resolution limit [Å]	2.110	2.110
Rmerge	0.151	1.264
Rmeas	0.158
Rpim	0.045	0.412
Number of reflections	34081	3356
<I/σ(I)>	8.27	2.02
Completeness [%]	99.8
Redundancy	12.3
CC(1/2)	0.994	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M Tris pH 8.0, 30% w/v Polyethylene glycol monomethyl ether 2000