4K1Y
Crystal structure of Canavalia boliviana lectin in complex with Man1-3Man-OMe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-02 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.9999 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 139.880, 95.660, 94.610 |
| Unit cell angles | 90.00, 132.29, 90.00 |
Refinement procedure
| Resolution | 40.944 - 2.500 |
| R-factor | 0.2045 |
| Rwork | 0.204 |
| R-free | 0.22810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.032 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 70.243 | 40.944 | 2.640 |
| High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
| Rmerge | 0.045 | 0.678 | |
| Total number of observations | 5644 | 25877 | |
| Number of reflections | 31961 | ||
| <I/σ(I)> | 9.5 | 13.9 | 1.1 |
| Completeness [%] | 99.9 | 99.3 | 100 |
| Redundancy | 5.6 | 5.4 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | vapor difusion, hanging drop | 4.6 | 293 | 0.1 M CdCl2, 0.1M NaOAc, 30% PEG 400, pH 4.6, vapor difusion, hanging drop, temperature 293K |
