3ZW1
Structure of Bambl lectine in complex with lewix x antigen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-07 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 3 |
Unit cell lengths | 81.440, 81.440, 81.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.720 - 1.600 |
R-factor | 0.1551 |
Rwork | 0.153 |
R-free | 0.18904 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zw0 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.709 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.720 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.040 | 0.100 |
Number of reflections | 23162 | |
<I/σ(I)> | 26.6 | 7.9 |
Completeness [%] | 96.2 | 82.4 |
Redundancy | 6.2 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 28 % PEG 6000, 100MM SODIUM ACETATE PH 5.0, 200MM TRISODIUM CITRATE. 10% ETHYLENE GLYCOL WAD ADDED AS CRYOPROTECTANT PRIOR TO FREEZING |