4N18

Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase family protein from Klebsiella pneumoniae 342

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97912
Spacegroup name	P 41 21 2
Unit cell lengths	76.567, 76.567, 101.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.840 - 1.970
R-factor	0.1833
Rwork	0.181
R-free	0.21990
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.836
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.000
High resolution limit [Å]	1.970	5.350	1.970
Rmerge	0.075	0.058	0.989
Number of reflections	21916
<I/σ(I)>	44		1.9
Completeness [%]	99.6	97	97.8
Redundancy	10.9	9.6	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	0.2 ul of 15 mg/ml protein in 20mM HEPES pH 7.5, 150 mM NaCl, 10% Glycerol, 0.1% Sodium Azide and 0.5mM TCEP were mixed with 0.2 ul of The MCSG-I condition #88 (0.1M Sodium Citrate:HCL pH 5.6, 20% (v/v) 2-Propanol, 20% (w/v)PEG 4000) and equilibrated against 1.9 M NaCl in QIAGEN EasyXtal 15-Well Tool plate, VAPOR DIFFUSION, SITTING DROP, temperature 289K