6OXN

2.6 Angstrom structure of W45F/H46S Glyoxylate/Hydroxypyruvate reductase A from Escherichia Coli in complex with glyoxylate and NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 65 2 2
Unit cell lengths	158.960, 158.960, 94.540
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	79.480 - 2.610
R-factor	0.1555
Rwork	0.152
R-free	0.18850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kbo
RMSD bond length	0.007
RMSD bond angle	0.969
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.480	2.675
High resolution limit [Å]	2.610	2.610
Rmerge	0.728
Rpim	0.115
Number of reflections	21320	2100
<I/σ(I)>	82.87
Completeness [%]	97.0	97.9
Redundancy	37.1
CC(1/2)	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	298	22% PEG 4000, 0.1 M ammonium sulfate, 0.1 M sodium citrate 2.5 mM NADP