2VNV
Crystal structure of BclA lectin from burkholderia cenocepacia in complex with alpha-methyl-mannoside at 1.7 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2005-05-16 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 50.010, 185.702, 187.551 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 93.660 - 1.700 |
R-factor | 0.171 |
Rwork | 0.169 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.580 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.600 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.010 | 0.040 |
Number of reflections | 96348 | |
<I/σ(I)> | 19.1 | 3.5 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 7.3 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | AMMONIUM SULFATE, PEG 8000 |