6X5X
Crystal structure o BmooMP-I, a P-I metalloproteinase from Bothrops moojeni
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 | 2016-05-11 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.425 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 70.344, 70.344, 97.205 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.831 - 1.920 |
R-factor | 0.1611 |
Rwork | 0.160 |
R-free | 0.18060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gbo |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.000 |
High resolution limit [Å] | 1.920 | 3.990 | 1.920 |
Rmerge | 0.156 | 0.082 | 0.874 |
Rmeas | 0.162 | 0.085 | 0.906 |
Rpim | 0.043 | 0.023 | 0.235 |
Total number of observations | 310194 | ||
Number of reflections | 21808 | 2567 | 2395 |
<I/σ(I)> | 4.7 | ||
Completeness [%] | 99.9 | 99.5 | 100 |
Redundancy | 14.2 | 13.8 | 14.6 |
CC(1/2) | 0.997 | 0.894 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | PEG 400, Tris HCl pH 8.5, Lithium sulfate, sodium sulfate |