2WQ4
N-terminal domain of BC2L-C Lectin from Burkholderia cenocepacia
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.100, 76.730, 103.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.400 - 1.420 |
| R-factor | 0.13315 |
| Rwork | 0.131 |
| R-free | 0.16631 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.513 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | HKL2Map |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.720 | 1.500 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.040 | 0.290 |
| Number of reflections | 63845 | |
| <I/σ(I)> | 10.8 | 2.68 |
| Completeness [%] | 99.3 | 96.3 |
| Redundancy | 3.92 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2M NABR, 0.1M BIS-TRIS PROPANE PH 6.5 AND 20% PEG3350 |
