3R0L
Crystal structure of crotoxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-09-25 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.664, 65.309, 37.429 |
| Unit cell angles | 90.00, 103.90, 90.00 |
Refinement procedure
| Resolution | 36.330 - 1.350 |
| R-factor | 0.166 |
| Rwork | 0.165 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qog |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.377 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.330 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.066 | 0.469 |
| Number of reflections | 35132 | |
| <I/σ(I)> | 13.9 | 1.9 |
| Completeness [%] | 98.9 | 96.2 |
| Redundancy | 4.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 290 | 30% PEG 4000, 0.1 M sodium acetate, 0.1 M magnesium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
