5HJ5

Crystal structure of tertiary complex of glucosamine-6-phosphate deaminase from Vibrio cholerae with BETA-D-GLUCOSE-6-PHOSPHATE and FRUCTOSE-6-PHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 63
Unit cell lengths	113.093, 113.093, 215.683
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.023 - 1.700
R-factor	0.1371
Rwork	0.135
R-free	0.16970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r7t
RMSD bond length	0.006
RMSD bond angle	0.828
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.076	0.032	0.735
Rmeas	0.081	0.035	0.806
Rpim	0.027	0.012	0.326
Total number of observations	1460271
Number of reflections	170772
<I/σ(I)>	7.8
Completeness [%]	100.0	99.8	100
Redundancy	8.6	8.9	6
CC(1/2)		0.999	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	297	0.1 M Ammonium acetate, 0.1M Bis-Tris, 17 % PEG1-K, 10 mM Praseodymium(III) acetate