6MP2
Crystal structure of BlMan5B solved by SIRAS
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 | 2016-09-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.459 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.570, 101.918, 171.585 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.850 - 1.980 |
R-factor | 0.167 |
Rwork | 0.166 |
R-free | 0.18860 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.850 | 48.850 | 2.100 |
High resolution limit [Å] | 1.980 | 5.900 | 1.980 |
Rmerge | 0.076 | 0.031 | 1.049 |
Rmeas | 0.085 | 0.034 | 1.248 |
Total number of observations | 460151 | ||
Number of reflections | 92510 | 3782 | 13973 |
<I/σ(I)> | 13.51 | 44.96 | 1.31 |
Completeness [%] | 98.2 | 99.1 | 93.1 |
Redundancy | 4.974 | 5.621 | 3.188 |
CC(1/2) | 0.999 | 0.999 | 0.660 |
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 |