7NHW
Crystal structure of a shortened IpgC variant in complex with chlorzoxazone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 57.515, 57.515, 159.526 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.870 - 1.920 |
| R-factor | 0.1934 |
| Rwork | 0.191 |
| R-free | 0.23690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6scb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.717 |
| Data reduction software | XDS (1.02) |
| Data scaling software | XDS (1.02) |
| Phasing software | PHASER (7.0.047) |
| Refinement software | PHENIX (1.16) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Number of reflections | 24220 | 3785 |
| <I/σ(I)> | 21.44 | 3.55 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 19.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 28 % PEG 4000, 0.1 M TRIS (pH 8.0), 0.3 M magnesium chloride |
