4MYE
Cymosema roseum seed lectin structure complexed with X-man
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.459 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.365, 88.753, 90.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.330 - 1.650 |
| R-factor | 0.18888 |
| Rwork | 0.188 |
| R-free | 0.20854 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.272 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
| Rmerge | 0.036 | 0.028 | 0.207 |
| Number of reflections | 35883 | ||
| <I/σ(I)> | 22.3 | ||
| Completeness [%] | 98.4 | 86.6 | 89.7 |
| Redundancy | 4.5 | 4.4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2 M Sodium citrate tribasic dihydrate, 0.1 M HEPES sodium, pH 7.5, 20% v/v 2-Propanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
