5DZ5
Crystal structure of Dendroaspis polylepis mambalgin-1 wild-type in P41212 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.965 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 46.800, 46.800, 80.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.467 - 1.950 |
| R-factor | 0.1949 |
| Rwork | 0.192 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5do6 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.991 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.800 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.183 | 1.670 |
| Number of reflections | 6981 | |
| <I/σ(I)> | 9.66 | 1.19 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.5 | 7.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | Protein: 5 mg/mL in 0.050 M Na Acetate, pH 5.5 Precipitant: 30% PEG600, 0.2 M Imidazole Malate, pH 7.0. Cryoprotectant: 40% CryoSol SM5, 30% PEG 600, 0.1 M mixed (Na acetate, ADA, Bicine) pH 7.0 |
