6XUI

Crystal structure of human phosphoglucose isomerase in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	80.551, 106.947, 270.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.260 - 1.950
R-factor	0.1728
Rwork	0.171
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iat
RMSD bond length	0.008
RMSD bond angle	1.435
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	2.070
High resolution limit [Å]	1.950	1.950
Rmeas	0.109	111.700
Number of reflections	170097	26904
<I/σ(I)>	10.4
Completeness [%]	99.3
Redundancy	3.69
CC(1/2)	0.998	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	PEG 4000, magnesium chloride, TRIS-HCl