6IYV
Crystal sturucture of L,D-transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ertapenem adduct
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2018-04-28 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9778 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.365, 73.188, 104.233 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.052 - 1.500 |
R-factor | 0.1743 |
Rwork | 0.174 |
R-free | 0.18740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vyp |
RMSD bond length | 0.005 |
RMSD bond angle | 0.887 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.070 | 0.866 |
Rmeas | 0.073 | |
Number of reflections | 84210 | 6190 |
<I/σ(I)> | 26.92 | 3.42 |
Completeness [%] | 99.9 | 100 |
Redundancy | 13.1 | 12.9 |
CC(1/2) | 1.000 | 0.931 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | NaCl, Bis-Tris, pH 6.0, PEG 3350 |