8BCJ

Crystal structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1 in complex with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 21 21 2
Unit cell lengths	91.689, 143.000, 72.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.120 - 1.150
R-factor	0.1358
Rwork	0.135
R-free	0.14910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8bci
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.620	44.620	1.170
High resolution limit [Å]	1.150	6.300	1.150
Rmerge	0.072	0.033	0.620
Rmeas	0.082	0.038	0.707
Rpim	0.038	0.018	0.335
Total number of observations	1486813	9874	71596
Number of reflections	337928	2285	16609
<I/σ(I)>	10.3	33.9	2.2
Completeness [%]	99.9	99.1	99.9
Redundancy	4.4	4.3	4.3
CC(1/2)	0.998	0.998	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	0.1 M imidazol, pH 8.2, 1.1 M K/Na tartrate, 0.2 M NaCl