4QS9

Arabidopsis Hexokinase 1 (AtHXK1) mutant S177A structure in glucose-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	44.781, 93.128, 101.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.623 - 2.103
R-factor	0.1997
Rwork	0.198
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qs7
RMSD bond length	0.005
RMSD bond angle	0.978
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	25426
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	HEPES, 22% PEG 3350, 50uM glucose, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K