6MOY
Crystal structure of the E257A mutant of BlMan5B in complex with GlcNAc (co-crystallization)
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 | 2017-08-24 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.459 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.834, 100.882, 171.633 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.486 - 2.500 |
R-factor | 0.2271 |
Rwork | 0.226 |
R-free | 0.25410 |
Structure solution method | MOLECULAR REPLACEMENT |
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] | 43.486 | 43.486 | 2.650 |
High resolution limit [Å] | 2.500 | 7.410 | 2.500 |
Rmerge | 0.152 | 0.039 | 1.353 |
Rmeas | 0.166 | 0.043 | 1.490 |
Number of reflections | 44627 | 1875 | 6561 |
<I/σ(I)> | 9.14 | 37.45 | 0.93 |
Completeness [%] | 96.3 | 96.5 | 89 |
Redundancy | 6.156 | 5.977 | 5.374 |
CC(1/2) | 0.997 | 0.999 | 0.691 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100 mM sodium citrate pH 4.5 and 12-16% PEG 3000 |