8PXY
Crystal structure of the transpeptidase LdtMt2 C354S mutant from Mycobacterium tuberculosis in complex with natural substrate
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 | 2022-05-13 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 76.608, 94.623, 58.794 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.540 - 2.150 |
R-factor | 0.2028 |
Rwork | 0.201 |
R-free | 0.24630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.574 |
Data reduction software | XDS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.540 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.138 | 0.987 |
Rmeas | 0.144 | 1.027 |
Rpim | 0.040 | 0.279 |
Number of reflections | 23935 | 1136 |
<I/σ(I)> | 10.8 | 1.1 |
Completeness [%] | 100.0 | 97 |
Redundancy | 13.2 | 13.5 |
CC(1/2) | 0.993 | 0.844 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1 M HEPES pH 7.0, 25% Jeffamine ED-2001 pH 7.0 |