3QC0

Crystal structure of a sugar isomerase (SMc04130) from SINORHIZOBIUM MELILOTI 1021 at 1.45 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97929,0.97915
Spacegroup name	P 61 2 2
Unit cell lengths	70.796, 70.796, 264.721
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.865 - 1.450
R-factor	0.1607
Rwork	0.159
R-free	0.18460
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.835
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.865	29.865	1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.075	0.045	0.692
Total number of observations		4592	29803
Number of reflections	70842
<I/σ(I)>	11.2	12.1	2.3
Completeness [%]	100.0	98.7	99.8
Redundancy	5.8	4.7	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	50.0% PEG-200, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K