8QCC
E.coli IspE in complex with a ligand (1)
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 | 2023-01-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.570, 52.793, 90.253 |
| Unit cell angles | 90.00, 126.69, 90.00 |
Refinement procedure
| Resolution | 57.160 - 1.900 |
| R-factor | 0.1956 |
| Rwork | 0.194 |
| R-free | 0.23530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.153 |
| Phasing software | PHENIX (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.160 | 1.972 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.078 | 1.000 |
| Number of reflections | 41807 | 3718 |
| <I/σ(I)> | 15.5 | 10.2 |
| Completeness [%] | 98.4 | |
| Redundancy | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 25% PEG 4k; 200 mM MgCl2; 100mM MES pH 6.5 |
