8CPB
1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with AMPPNP, and AnhMurNAc at 1.7 Angstroms resolution.
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 | 2022-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 63 |
| Unit cell lengths | 90.670, 90.670, 171.686 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.249 - 1.700 |
| Rwork | 0.169 |
| R-free | 0.20460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.071 |
| 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] | 46.250 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rpim | 0.240 | 0.398 |
| Number of reflections | 87575 | 4470 |
| <I/σ(I)> | 17.4 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.7 | 20.9 |
| CC(1/2) | 0.990 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 3350, Na/K tartrate 0.2M |
