3C5Y

Crystal structure of a putative ribose 5-phosphate isomerase (saro_3514) from novosphingobium aromaticivorans dsm at 1.81 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	2007-12-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837
Spacegroup name	P 1 21 1
Unit cell lengths	106.754, 109.462, 167.569
Unit cell angles	90.00, 102.92, 90.00

Refinement procedure

Resolution	49.147 - 1.810
R-factor	0.173
Rwork	0.170
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ppw
RMSD bond length	0.018
RMSD bond angle	1.709
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.147	49.147	1.870
High resolution limit [Å]	1.810	3.890	1.810
Rmerge	0.063	0.038	0.429
Number of reflections	330786	32297	30758
<I/σ(I)>	8.69	18.8	2.3
Completeness [%]	96.9	92.6	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	277	NANODROP, 0.2M LiNO3, 20.0% PEG 3350, No Buffer pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K