7AXY
Crystal structure of a shortened IpgC variant in complex with 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
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 | 2019-12-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 57.517, 57.517, 159.445 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.240 - 1.630 |
| R-factor | 0.1984 |
| Rwork | 0.197 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6scb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.765 |
| 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] | 42.240 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Number of reflections | 38957 | 6172 |
| <I/σ(I)> | 16.42 | |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 5.5 | 5.3 |
| CC(1/2) | 1.000 | 0.850 |
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 |
