3QIC

The structure of human glucokinase E339K mutation

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
Detector	RAYONIX MX-225
Spacegroup name	P 43 21 2
Unit cell lengths	80.740, 80.740, 178.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.375 - 2.200
R-factor	0.2145
Rwork	0.213
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v4s
RMSD bond length	0.008
RMSD bond angle	1.085
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.190	41.190	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.077	0.029	0.544
Number of reflections	30831
<I/σ(I)>		27.2	3.4
Completeness [%]	99.9	96.3	100
Redundancy	6	5.1	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	25% (w/v) PEG3350, 0.1M HEPES pH 7.3, 0.2M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K