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. |