8C0U
1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with their natural substrates and products
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 | 2022-01-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979260 |
Spacegroup name | P 63 |
Unit cell lengths | 90.583, 90.583, 174.478 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.764 - 2.112 |
Rwork | 0.230 |
R-free | 0.26810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.849 |
Data reduction software | XDS (2022) |
Data scaling software | STARANISO (v3.347 1-Sep-2022) |
Phasing software | PHASER (7.1.016) |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.764 | 2.190 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.142 | |
Rpim | 0.041 | 0.785 |
Number of reflections | 42080 | 2106 |
<I/σ(I)> | 18.41 | 1.555 |
Completeness [%] | 94.6 | 64 |
Redundancy | 24.8 | |
CC(1/2) | 0.990 | 0.518 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 20% PEG 3350, Bis-Tris 0.1 M, pH 6.0, Li2SO4 0.2 M |