4GF4
Low pH structure of Pseudomonas putida OprB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-19 |
| Detector | ADSC QUANTUM 270 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 79.037, 122.592, 135.581 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.770 - 3.100 |
| R-factor | 0.22 |
| Rwork | 0.214 |
| R-free | 0.27100 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.466 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.813 | |
| Number of reflections | 22871 | |
| <I/σ(I)> | 21 | 2.4 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 293 | 50 mM sodium-citrate, 0.2 M sodium formate, 35-40% PEG 400 , pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
