7P1C
Crystal structure of E.coli BamA beta-barrel in complex with darobactin B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-23 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00002 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 81.560, 80.372, 89.247 |
| Unit cell angles | 90.00, 107.94, 90.00 |
Refinement procedure
| Resolution | 50.107 - 2.500 |
| R-factor | 0.2335 |
| Rwork | 0.233 |
| R-free | 0.24940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7nrf |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.107 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.278 | 2.952 |
| Rpim | 0.113 | 0.851 |
| Number of reflections | 19080 | 1887 |
| <I/σ(I)> | 7.5 | 1.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.1 | 13 |
| CC(1/2) | 0.998 | 0.789 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Calcium chloride dihydrate, 0.1M HEPES 7.5, 53% v/v PEG 400 |
