2POC

The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-16
Detector	MAR CCD 165 mm
Wavelength(s)	0.8162
Spacegroup name	P 1 21 1
Unit cell lengths	65.977, 117.832, 99.711
Unit cell angles	90.00, 91.60, 90.00

Refinement procedure

Resolution	19.940 - 1.800
R-factor	0.17533
Rwork	0.175
R-free	0.20641
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1moq
RMSD bond length	0.017
RMSD bond angle	1.654
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	141467
<I/σ(I)>	20.8	3
Completeness [%]	99.9	100
Redundancy	4.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.2 M magnesium acetate, 0.1 M sodium cacodylate pH 6.5, 30 % v/v 2-methyl-2,4-pentanediol; 10-fold excess of UDP-GlcNAc and Glc-6-P;, VAPOR DIFFUSION, HANGING DROP, temperature 277K