7JQJ

Structure of W45F Glyoxylate/Hydroxypyruvate reductase A from Escherichia Coli in complex with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12723
Spacegroup name	P 65 2 2
Unit cell lengths	159.177, 159.177, 95.709
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.230 - 2.200
R-factor	0.1861
Rwork	0.186
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jqh
RMSD bond length	0.005
RMSD bond angle	1.005
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.230	2.283
High resolution limit [Å]	2.200	2.204
Number of reflections	35538	2919
<I/σ(I)>	28.47
Completeness [%]	97.3
Redundancy	1.8
CC(1/2)	0.999	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	16% v/w PEG 4000, 20% v/v glycerol, 0.1 M sodium citrate pH 5.8 0.1 M ammonium sulfate