4LMR

Crystal structure of L-lactate dehydrogenase from Bacillus cereus ATCC 14579, NYSGRC Target 029452

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	2013-04-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	I 41 2 2
Unit cell lengths	177.276, 177.276, 168.975
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.710 - 2.450
R-factor	0.1639
Rwork	0.163
R-free	0.17940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pqd
RMSD bond length	0.008
RMSD bond angle	1.239
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.081	0.031	0.674
Number of reflections	94016
<I/σ(I)>	10.8
Completeness [%]	100.0	99.7	100
Redundancy	7.3	7.8	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1M Tris-HCl, pH 8.5, 3.5M sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 298K