5MI4
BtGH84 mutant with covalent modification by MA3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 195.034, 51.655, 111.871 |
| Unit cell angles | 90.00, 113.41, 90.00 |
Refinement procedure
| Resolution | 57.140 - 1.800 |
| R-factor | 0.16329 |
| Rwork | 0.161 |
| R-free | 0.19961 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cho |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.561 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.140 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.052 | 0.375 |
| Number of reflections | 95258 | |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 4.1 | |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 4% PEG 8K, 125mM Imidazole, 3% TMAO, 15% ethylene glycol |
