8A1L
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with alpha-chloro ketone 2
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 | 2020-07-31 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.756, 94.772, 75.745 |
Unit cell angles | 90.00, 92.90, 90.00 |
Refinement procedure
Resolution | 51.690 - 2.300 |
R-factor | 0.216 |
Rwork | 0.214 |
R-free | 0.24720 |
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] | 61.500 | 61.530 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.163 | 0.055 | 1.360 |
Rmeas | 0.177 | 0.061 | 1.468 |
Rpim | 0.068 | 0.025 | 0.549 |
Number of reflections | 38421 | 1978 | 1894 |
<I/σ(I)> | 9.8 | 36.4 | 0.9 |
Completeness [%] | 99.8 | 100 | 100 |
Redundancy | 6.9 | 6.9 | 7.2 |
CC(1/2) | 0.970 | 0.925 | 0.798 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Ammonium nitrate, 20% PEG 3350 |