3Q7I

Glucose-6-phosphate isomerase from Francisella tularensis complexed with 6-phosphogluconic acid.

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	2010-03-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	114.439, 114.439, 84.319
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.460 - 1.540
R-factor	0.1458
Rwork	0.144
R-free	0.17070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ljk
RMSD bond length	0.019
RMSD bond angle	1.853
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.500	50.000	1.570
High resolution limit [Å]	1.540	4.180	1.540
Rmerge	0.067	0.026	0.794
Number of reflections	93541
<I/σ(I)>	11.3		2.15
Completeness [%]	99.9	98.9	100
Redundancy	10	10.4	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289	0.2 M Ca(OAc)2, 0.1 M MES buffer, 10% 2-propanol, 0.01 M 6-phosphogluconic acid., pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K