8B2Q
Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia in complex with T. forsythia karilysin.
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 | 2016-06-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.240, 62.940, 108.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.070 - 1.350 |
R-factor | 0.1545 |
Rwork | 0.154 |
R-free | 0.17110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4in9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.900 | 1.420 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.060 | 0.767 |
Rmeas | 0.063 | 0.800 |
Number of reflections | 57705 | 7901 |
<I/σ(I)> | 20.8 | 3.5 |
Completeness [%] | 98.6 | 97.2 |
Redundancy | 12.4 | 12.1 |
CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | The PotA:karilysin complex at 15 mg/mL in 50 mM sodium chloride, 5 mM calcium chloride, 0.02% sodium azide, 5 mM Tris-HCl pH 8.0 was crystallised from 25% (w/v) PEG 6,000, 100 mM MES, pH 6.0. |