3WGZ

Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with D-leucine of from Clostridium tetani E88

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97622
Spacegroup name	P 1 21 1
Unit cell lengths	46.727, 136.072, 60.051
Unit cell angles	90.00, 110.28, 90.00

Refinement procedure

Resolution	24.980 - 2.250
Rwork	0.206
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f06
RMSD bond length	0.006
RMSD bond angle	1.367
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.330
High resolution limit [Å]	2.250	4.840	2.250
Rmerge	0.053	0.028	0.488
Number of reflections	33308
<I/σ(I)>	14.5
Completeness [%]	100.0	99.9	100
Redundancy	4.6	4.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	PEG20000, MES, glycerol, d-leucine, pH 6.0, vapor diffusion, sitting drop, temperature 298K