6H77
E1 enzyme for ubiquitin like protein activation in complex with UBL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.110, 105.520, 93.880 |
| Unit cell angles | 90.00, 102.29, 90.00 |
Refinement procedure
| Resolution | 52.760 - 2.100 |
| R-factor | 0.18492 |
| Rwork | 0.184 |
| R-free | 0.22089 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6h78 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.498 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.530 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.112 | 1.814 |
| Number of reflections | 92451 | |
| <I/σ(I)> | 5.8 | 0.8 |
| Completeness [%] | 98.5 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.995 | 0.517 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293.15 | 0.2 M Lithium Nitrate, 21% PEG 3350, 0.2 M Magnesium chloride hexahydrate and 3.5 % v/v Pentaerythritol ethoxylate (3/4 EO/OH) |
