9M0T

Crystal structure of Glyoxylate/Hydroxypyruvate Reductase in complex from Bacillus subtilis with formate at near-atomic resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	93.168, 59.668, 59.912
Unit cell angles	90.00, 99.89, 90.00

Refinement procedure

Resolution	29.510 - 1.200
R-factor	0.165
Rwork	0.165
R-free	0.18380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.874
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.800	1.220
High resolution limit [Å]	1.200	1.200
Rpim	0.022	0.422
Number of reflections	95288	4200
<I/σ(I)>	16.2	1.8
Completeness [%]	94.7
Redundancy	6.8
CC(1/2)	0.999	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.2M magnesium formate, 20% (w/v) PEG (polyethylene glycol) 3350, 0.1M HEPES (pH 6.5), 5% (v/v) glycerol