8A1M
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 4
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 | 61.700, 95.070, 75.450 |
Unit cell angles | 90.00, 92.22, 90.00 |
Refinement procedure
Resolution | 48.660 - 2.300 |
R-factor | 0.2195 |
Rwork | 0.218 |
R-free | 0.24920 |
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] | 48.660 | 48.660 | 2.360 |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.133 | 0.041 | 1.219 |
Number of reflections | 38184 | 452 | 2851 |
<I/σ(I)> | 9.6 | 27.5 | 1.5 |
Completeness [%] | 98.6 | 98 | 99.1 |
Redundancy | 6.9 | 6.2 | 7 |
CC(1/2) | 0.991 | 0.993 | 0.665 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Ammonium nitrate, 20% PEG 3350 |