2ZB4

Crystal structure of human 15-ketoprostaglandin delta-13-reductase in complex with NADP and 15-keto-PGE2

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	2006-11-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	39.815, 68.019, 122.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.630
R-factor	0.186
Rwork	0.184
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zb3
RMSD bond length	0.019
RMSD bond angle	1.900
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]	30.000	1.690
High resolution limit [Å]	1.630	1.630
Rmerge	0.041	0.175
Number of reflections	41704
<I/σ(I)>	29.5	7.4
Completeness [%]	97.5	98.3
Redundancy	6.2	6

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