6GXR
Crystal structure of BP39L lectin from Burkholderia pseudomallei at 1.7 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-31 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 46.076, 87.549, 159.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 79.550 - 1.700 |
R-factor | 0.1593 |
Rwork | 0.157 |
R-free | 0.19609 |
Structure solution method | SAD |
RMSD bond length | 0.023 |
RMSD bond angle | 2.099 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.550 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.071 | 0.430 |
Number of reflections | 33933 | 4942 |
<I/σ(I)> | 25.1 | 6.2 |
Completeness [%] | 94.7 | 95.9 |
Redundancy | 14 | 14.3 |
CC(1/2) | 1.000 | 0.924 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 0.1 M MES, 15% PEG 5000 MME, 0.2 M ammonium sulphate, pH 6.5 |