6SCB
Crystal structure of a shortened IpgC variant with two bound Magnesium and two bound Chlorine atoms each
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 57.554, 57.554, 159.979 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.590 - 1.580 |
| R-factor | 0.1773 |
| Rwork | 0.175 |
| R-free | 0.21520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gyz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.951 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Number of reflections | 43023 | 6816 |
| <I/σ(I)> | 16.64 | 2.42 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 4.89 | 4.72 |
| CC(1/2) | 0.999 | 0.906 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 30% PEG 4000, 0.05 M TRIS (pH 7.0), 0.3 M magnesium chloride |
