3FVD

Crystal structure of a member of enolase superfamily from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-02
Detector	MAR CCD 165 mm
Wavelength(s)	0.9791
Spacegroup name	P 4 21 2
Unit cell lengths	126.518, 126.518, 97.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.300
R-factor	0.167
Rwork	0.164
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.827
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.294	33.010	2.340
High resolution limit [Å]	2.220	7.020	2.220
Rmerge	0.170	0.081	0.954
Total number of observations		35441	133456
Number of reflections	39470
<I/σ(I)>	3.708	7.6	0.7
Completeness [%]	99.6	99.1	97.3
Redundancy	28.5	25.4	24.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	5M Sodium formate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K