5DU1
Crystal structure of Dendroaspis polylepis mambalgin-1 wild-type in P21 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 2M |
Wavelength(s) | 0.965 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.030, 50.240, 46.880 |
Unit cell angles | 90.00, 93.38, 90.00 |
Refinement procedure
Resolution | 38.960 - 1.800 |
R-factor | 0.17662 |
Rwork | 0.174 |
R-free | 0.22433 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5do6 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.065 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.796 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.063 | 0.257 |
Number of reflections | 15969 | |
<I/σ(I)> | 13.77 | 4.35 |
Completeness [%] | 93.8 | 84.7 |
Redundancy | 2.7 | 2.77 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | protein: 5 mg/mL in 0.550 M Na Acetate pH 5.5 precipitant: 18% PEG4K, 3% MPD, 3% 1,4-dioxane, .188 M Imidazole Malate, pH 6 cryoprotectant:: CrySol-SM5, 30% PEG 600, 0.1 M mixed (Na acetate, ADA, Bicine), pH 7.5 |