3UL6
Saccharum officinarum canecystatin-1 in space group P6422
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 | 2008-06-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.45 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 83.800, 83.800, 142.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.855 - 2.630 |
| R-factor | 0.2391 |
| Rwork | 0.239 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.115 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (2011_09_22_2056) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.100 | |
| High resolution limit [Å] | 2.630 | 2.630 |
| Number of reflections | 9139 | |
| Completeness [%] | 97.3 | 97.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 293 | 100mM HEPES, 200mM MgCl2, 25% PEG4000, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
