1NE7

HUMAN GLUCOSAMINE-6-PHOSPHATE DEAMINASE ISOMERASE AT 1.75 A RESOLUTION COMPLEXED WITH N-ACETYL-GLUCOSAMINE-6-PHOSPHATE AND 2-DEOXY-2-AMINO-GLUCITOL-6-PHOSPHATE

Replaces:  1D9T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	1999-03-18
Detector	MARRESEARCH
Wavelength(s)	0.78
Spacegroup name	P 21 21 21
Unit cell lengths	109.877, 110.892, 180.881
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 1.750
R-factor	0.1954
Rwork	0.193
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dea
RMSD bond length	0.005
RMSD bond angle	23.100 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.970	1.860
High resolution limit [Å]	1.750	1.750
Rmerge	0.052 *	0.224 *
Number of reflections	209143
<I/σ(I)>	9.9	3.4
Completeness [%]	94.3	96.8 *
Redundancy	3.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	18 *	1.68 M ammonium sulphate, 10 mM N-acetyl-glucosamine-6-phosphate and 0.1 mM 2-deoxy-2-amino D-glucitol 6-phosphate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	ammonium sulfate	1.68 (M)
3	1	reservoir	N-acetyl-glucosamine-6-phosphate	10 (mM)
4	1	reservoir	2-deoxy-2-amino-D-glucitol-6-phosphate	0.1 (mM)	pH7.