2ZB7

Crystal structure of human 15-ketoprostaglandin delta-13-reductase in complex with NADPH and nicotinamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-11-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	39.872, 67.989, 122.965
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
Rwork	0.164
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zb3
RMSD bond length	0.020
RMSD bond angle	1.940
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.051	0.348
Number of reflections	28551
<I/σ(I)>	51.8	6.4
Completeness [%]	89.6	66.4
Redundancy	5.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	298	0.1M MES, 2.0M ammonium sulfate, 2mM DTT, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K