7PMU
Crystal structure of native Iripin-8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 96.951, 130.672, 151.089 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.310 - 1.890 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.24340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cdx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.568 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.540 | 1.930 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.124 | |
| Number of reflections | 38420 | 2465 |
| <I/σ(I)> | 8.9 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.5 | 9 |
| CC(1/2) | 0.998 | 0.594 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 0.1 M Tris pH 7.8, 5% PGA-LM, 30% v/v PEG550 MME |
