6Q4Z
Structure of an inactive variant (D94N) of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with beta-1,2-mannobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.389, 98.115, 105.621 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.890 - 1.550 |
R-factor | 0.12992 |
Rwork | 0.127 |
R-free | 0.18941 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q4y |
RMSD bond length | 0.009 |
RMSD bond angle | 1.555 |
Data reduction software | DIALS (1.11.2-g01fb9e997-release) |
Data scaling software | Aimless (0.7.3) |
Phasing software | REFMAC (5.8.0238) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.890 | 1.580 |
High resolution limit [Å] | 1.500 | 1.550 |
Rmerge | 0.101 | 1.260 |
Rmeas | 0.109 | 1.368 |
Rpim | 0.039 | 0.522 |
Number of reflections | 92517 | 4023 |
<I/σ(I)> | 8.1 | 1.4 |
Completeness [%] | 99.8 | 97.5 |
Redundancy | 7.6 | 6.8 |
CC(1/2) | 0.996 | 0.629 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 200 mM triammonium citrate pH 7.0, 18-22% PEG 3350 |