3RR1

Crystal structure of enolase PRK14017 (target EFI-500653) from Ralstonia pickettii 12J

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	90
Detector technology	CCD
Collection date	2009-03-17
Detector	ADSC QUANTUM 315
Spacegroup name	I 4
Unit cell lengths	118.011, 118.011, 114.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.950
R-factor	0.13677
Rwork	0.136
R-free	0.17359
Structure solution method	MR
Starting model (for MR)	2gl5
RMSD bond length	0.010
RMSD bond angle	1.306
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge		0.870
Number of reflections	57169
<I/σ(I)>	10.8	2.2
Completeness [%]	94.7	94.7
Redundancy	12.2	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	0.1M HEPES, 5% TASCIMATE, 10% PEG5000 MME, 10% GLYCEROL, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K