3PQF

Crystal structure of L-lactate dehydrogenase from Bacillus subtilis mutation H171C complexed with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 31
Unit cell lengths	133.431, 133.431, 99.088
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.494 - 2.490
R-factor	0.1899
Rwork	0.189
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.129
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.494
High resolution limit [Å]	2.490
Number of reflections	68913
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	20% PEG 4000, 0.1 M Na/K PO4, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K