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 |