5VFH
Crystal structure of BnSP-7 from Bothrops pauloensis complexed to sulfates
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 | PIXEL |
| Collection date | 2014-02-11 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.459, 1.500 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.425, 59.566, 58.633 |
| Unit cell angles | 90.00, 95.72, 90.00 |
Refinement procedure
| Resolution | 23.601 - 1.592 |
| R-factor | 0.1642 |
| Rwork | 0.163 |
| R-free | 0.19090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pa0 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.703 |
| Data reduction software | HKL-2000 (v714) |
| Data scaling software | HKL-2000 (v714) |
| Phasing software | PHASER (2.1) |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.601 | 1.650 |
| High resolution limit [Å] | 1.592 | 1.592 |
| Rmerge | 0.094 | 0.328 |
| Number of reflections | 40956 | 3811 |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 98.0 | 92.16 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 30% polyethylene glycol 4000, 100 mM TrisHCl pH 8.5 and 150 mM lithium sulfate |
