6MP7
Crystal structure of the E257A mutant of BlMan5B in complex with GlcNAc (soaking)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-25 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.459 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.805, 101.247, 172.935 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.585 - 1.750 |
R-factor | 0.1734 |
Rwork | 0.172 |
R-free | 0.19410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mp2 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.585 | 48.585 | 1.860 |
High resolution limit [Å] | 1.750 | 5.220 | 1.750 |
Rmerge | 0.084 | 0.029 | 1.566 |
Rmeas | 0.091 | 0.032 | 1.741 |
Number of reflections | 123099 | 4906 | 19276 |
<I/σ(I)> | 13.07 | 52.55 | 1.01 |
Completeness [%] | 99.2 | 98.1 | 97.3 |
Redundancy | 6.038 | 6.672 | 5.161 |
CC(1/2) | 0.999 | 0.999 | 0.606 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 273.15 | 100 mM sodium citrate pH 4.5 and 12-16% PEG 3000 |