6Q4Y
Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with mannose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.237, 97.138, 105.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.580 - 1.700 |
R-factor | 0.17625 |
Rwork | 0.174 |
R-free | 0.21279 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q50 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.554 |
Data reduction software | DIALS (1.8.2-g5331de77-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] | 71.580 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.091 | 0.943 |
Rmeas | 0.091 | 1.009 |
Rpim | 0.091 | 0.353 |
Number of reflections | 63306 | 3333 |
<I/σ(I)> | 9.7 | 1.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.7 | 7.8 |
CC(1/2) | 0.999 | 0.379 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 200 mM trisodium citrate, 18-22% w/v PEG 3350 |