6NLN
1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16)
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 | 2017-10-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 129.910, 194.883, 203.811 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.721 - 1.600 |
| R-factor | 0.1482 |
| Rwork | 0.147 |
| R-free | 0.16940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d8o |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.720 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.091 | 1.070 |
| Total number of observations | 2249402 | 112474 |
| Number of reflections | 336765 | 16609 |
| <I/σ(I)> | 13 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 6.8 |
| CC(1/2) | 0.999 | 0.699 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 30% (v/v) PEG 200, 0.1M sodium acetate, 0.1M NaCl |
