3H7A

CRYSTAL STRUCTURE OF SHORT-CHAIN DEHYDROGENASE FROM Rhodopseudomonas palustris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	90
Detector technology	CCD
Collection date	2009-04-21
Detector	ADSC QUANTUM 315
Spacegroup name	P 41 21 2
Unit cell lengths	91.431, 91.431, 270.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.870
R-factor	0.20663
Rwork	0.205
R-free	0.24148
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.316
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	REFMAC (5.3.0034)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.870	1.870
Rmerge		0.700
Number of reflections	95778
<I/σ(I)>	4.3	0.8
Completeness [%]	96.7	94.4
Redundancy	2.9	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	294	0.1M CITRIC ACID PH 5.5, 20% PEG3350, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K