7O6S
Crystal structure of a shortened IpgC variant in complex with N-(2H-1,3-benzodioxol-5-ylmethyl)cyclopentanamine
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 | 2020-02-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 57.630, 57.630, 159.184 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.620 - 1.580 |
| R-factor | 0.1917 |
| Rwork | 0.190 |
| R-free | 0.22520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6scb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.986 |
| 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 | 43093 | 6793 |
| <I/σ(I)> | 18.8 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.6 | |
| CC(1/2) | 0.915 |
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 |
