9QN5
Crystal structure of human SUMO E1 with small unit cell parameters in the P1 21 1 space group.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-16 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.88560 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.470, 115.562, 98.571 |
| Unit cell angles | 90.00, 104.70, 90.00 |
Refinement procedure
| Resolution | 73.540 - 1.970 |
| R-factor | 0.20113 |
| Rwork | 0.199 |
| R-free | 0.24392 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.573 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.544 | 2.002 |
| High resolution limit [Å] | 1.968 | 1.968 |
| Number of reflections | 135032 | 6970 |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 96.3 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.998 | 0.369 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 25% PEG 3350, 0.8M ammonium acetate, 100mM MES pH 6.5, 10mM ATP, 10mM magnesium chloride, 10mM TCEP, 2.5% PEG 400, 1mM ESO-25. |
