9M0V

Crystal structure of Glyoxylate/Hydroxypyruvate Reductase in complex from Bacillus subtilis with formate and NADPH 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	2019-11-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	93.272, 59.233, 59.738
Unit cell angles	90.00, 99.90, 90.00

Refinement procedure

Resolution	49.780 - 1.500
R-factor	0.165
Rwork	0.164
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.965
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]	49.800	1.530
High resolution limit [Å]	1.500	1.500
Rpim	0.038	0.478
Number of reflections	50733	2502
<I/σ(I)>	12.5	1.7
Completeness [%]	98.8
Redundancy	6.6
CC(1/2)	0.999	0.648

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