3V4B

Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and L-tartrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-15
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	I 4 2 2
Unit cell lengths	124.715, 124.715, 110.871
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.136 - 1.400
R-factor	0.1493
Rwork	0.149
R-free	0.16180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qjm
RMSD bond length	0.017
RMSD bond angle	1.628
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.187	88.187	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge	0.071	0.023	0.623
Total number of observations		40004	156024
Number of reflections	85453
<I/σ(I)>	25.2	26.1	1.3
Completeness [%]	100.0	99.9	100
Redundancy	13.9	13.7	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffusion	4.6	298	Protein (10 mM Hepes, pH 7.8, 150 mM NaCl, 10% glycerol, 5 mM DTT, 5 mM MgCl2; Reservoir (0.2M KNaTartrate, 20% Peg3350); Cryoprotection (20% glycerol), sitting drop vapor diffusion, temperature 298K