8B2N
Potempin A (PotA) from Tannerella forsythia in complex with the catalytic domain of human MMP-12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-02 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.410, 63.000, 135.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.690 - 1.850 |
R-factor | 0.19 |
Rwork | 0.190 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jk3 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.700 | 1.960 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.097 | 0.835 |
Rmeas | 0.102 | 0.878 |
Number of reflections | 40486 | 6285 |
<I/σ(I)> | 14.3 | 3.8 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 10.5 | |
CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | The PotA:MMP-12 complex at 8.5 mg/mL in 2.5 mM calcium chloride, 150 mM sodium chloride, 20 mM Tris-HCl pH 7.5 was crystallised from 30% (w/v) PEG 3,000, 200 mM sodium chloride, 100 mM Tris-HCl pH 7.0. |