6NLJ
1.65 A resolution structure of Apo BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 12)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 129.291, 195.014, 203.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.091 - 1.650 |
| R-factor | 0.1563 |
| Rwork | 0.155 |
| R-free | 0.17780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3is7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.869 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.8) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.600 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.071 | 1.131 |
| Total number of observations | 2058004 | |
| Number of reflections | 305152 | 15002 |
| <I/σ(I)> | 15.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 6.8 |
| CC(1/2) | 0.999 | 0.637 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 8% (w/v) PEG 8000, 0.1M sodium acetate |
