2Q8N

Crystal structure of Glucose-6-phosphate isomerase (EC 5.3.1.9) (TM1385) from Thermotoga maritima at 1.82 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-31
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00000
Spacegroup name	I 21 21 21
Unit cell lengths	117.506, 125.867, 245.476
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.932 - 1.820
R-factor	0.199
Rwork	0.197
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b0z
RMSD bond length	0.018
RMSD bond angle	1.607
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.932	45.932	1.890
High resolution limit [Å]	1.820	3.910	1.820
Rmerge	0.052	0.028	0.666
Number of reflections	161864	16824	17196
<I/σ(I)>	19.96	73.5	2.1
Completeness [%]	99.8	99.7	99.9
Redundancy	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		273	NANODROP, 0.23M Li Sulfate, 0.10M Tris-HCl, 0.031M HCl, 43% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 273K