2BWM
1.8A CRYSTAL STRUCTURE OF of Psathyrella velutina LECTIN IN COMPLEX WITH METHYL 2-ACETAMIDO-1,2-DIDEOXY-1-SELENO-BETA-D-GLUCOPYRANOSIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-14 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 82.623, 105.287, 51.836 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.960 - 1.800 |
| R-factor | 0.151 |
| Rwork | 0.150 |
| R-free | 0.18300 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.682 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | autoSHARP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.170 | 1.850 |
| High resolution limit [Å] | 1.700 | 1.800 |
| Rmerge | 0.100 | 0.440 |
| Number of reflections | 42217 | |
| <I/σ(I)> | 6.3 | 1.7 |
| Completeness [%] | 99.0 | 98.2 |
| Redundancy | 22.85 | 22.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 2.8M AMMONIUM SULPHATE,0.1M MES PH 6.5 |
