8QC7
New monoclinic EcIspE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2022-11-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.93 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.196, 53.046, 91.070 |
| Unit cell angles | 90.00, 126.93, 90.00 |
Refinement procedure
| Resolution | 35.390 - 2.030 |
| R-factor | 0.2177 |
| Rwork | 0.216 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.750 |
| Phasing software | PHENIX (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.390 | 2.103 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.120 | 0.524 |
| Number of reflections | 35241 | 3472 |
| <I/σ(I)> | 7.6 | 2.4 |
| Completeness [%] | 99.0 | 98.52 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291.15 | 25% PEG 4k; 200mM MgCl2; 100mM MES pH 6.5 |
