9RA3
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with alkene C1
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-28 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.390, 93.930, 75.250 |
| Unit cell angles | 90.00, 92.68, 90.00 |
Refinement procedure
| Resolution | 46.970 - 2.300 |
| R-factor | 0.2422 |
| Rwork | 0.241 |
| R-free | 0.27170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.480 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1.5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.970 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmeas | 0.093 | 1.041 |
| Number of reflections | 37877 | 1877 |
| <I/σ(I)> | 13.7 | 2 |
| Completeness [%] | 99.7 | |
| Redundancy | 6.9 | 6.7 |
| CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Ammonium nitrate, 20% PEG 3350 |
