3JX9

Crystal structure of Putative phosphoheptose isomerase (YP_001815198.1) from Exiguobacterium sp. 255-15 at 1.95 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-11
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 32 2 1
Unit cell lengths	81.658, 81.658, 117.652
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.412 - 1.950
R-factor	0.164
Rwork	0.163
R-free	0.18800
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.426
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.412	29.410	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.086	0.047	0.577
Total number of observations		1999	13703
Number of reflections	33717
<I/σ(I)>	14	11.2	1.3
Completeness [%]	100.0	97.5	100
Redundancy	5.5	4.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	1.6000M (NH4)2SO4, 0.1000M NaCl, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K