7O04
Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
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 | 2020-06-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 58.153, 58.153, 155.167 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.420 - 1.740 |
| R-factor | 0.1804 |
| Rwork | 0.178 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6scb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.844 |
| 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 | 1.780 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Number of reflections | 35016 | 5519 |
| <I/σ(I)> | 15.6 | 2.03 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 10 | 10.3 |
| CC(1/2) | 0.999 | 0.767 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 25% PEG 4000, 0.05 M TRIS (pH 7.0), 0.3 M magnesium chloride |
