8A1N
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with fumaryl amide analogue 13
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 | 2021-02-26 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.929, 94.633, 75.356 |
Unit cell angles | 90.00, 92.35, 90.00 |
Refinement procedure
Resolution | 75.290 - 2.050 |
R-factor | 0.1951 |
Rwork | 0.193 |
R-free | 0.23920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rrm |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 75.300 | 75.350 | 2.090 |
High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
Rmerge | 0.090 | 0.033 | 0.821 |
Rmeas | 0.097 | 0.035 | 0.889 |
Rpim | 0.037 | 0.013 | 0.338 |
Number of reflections | 53680 | 2741 | 2674 |
<I/σ(I)> | 13.2 | 53.7 | 1.1 |
Completeness [%] | 100.0 | 99.8 | 99.9 |
Redundancy | 6.8 | 7.1 | 6.8 |
CC(1/2) | 0.999 | 0.999 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Ammonium nitrate, 20% PEG 3350 |