3TOY

CRYSTAL STRUCTURE OF ENOLASE BRADO_4202 (TARGET EFI-501651) FROM Bradyrhizobium sp. ORS278 WITH CALCIUM AND ACETATE BOUND

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-23
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 2
Unit cell lengths	118.389, 131.838, 108.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.15964
Rwork	0.158
R-free	0.19922
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mdr
RMSD bond length	0.012
RMSD bond angle	1.315
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	1.830
High resolution limit [Å]	1.800	1.800
Rmerge		0.910
Number of reflections	157702
<I/σ(I)>	8.9	2.5
Completeness [%]	100.0	100
Redundancy	12.3	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5		0.1M SODIUM ACETATE, 200MM CALCIUM ACETA 30% PEG400, PH 4.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K