8BRE
1,6-anhydro-n-actetylmuramic acid kinase (AnmK)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979264 |
| Spacegroup name | P 63 |
| Unit cell lengths | 90.093, 90.093, 178.378 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.292 - 2.000 |
| Rwork | 0.178 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qbx |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.292 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 1.688 | |
| Number of reflections | 55214 | 4056 |
| <I/σ(I)> | 22.5 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.1 | 20.5 |
| CC(1/2) | 1.000 | 0.667 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 8% PEG 8000, 0.2M litium chloride, 0.05M magnesium sulfate. |
