6RLY
Human MMP12 (catalytic domain) in complex with AP316
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-14 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.540 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 69.420, 63.020, 37.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.660 - 2.200 |
R-factor | 0.1803 |
Rwork | 0.178 |
R-free | 0.22712 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rmz |
RMSD bond length | 0.014 |
RMSD bond angle | 2.064 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.700 | 2.330 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.260 | 0.800 |
Number of reflections | 8809 | 1382 |
<I/σ(I)> | 10.9 | 1.9 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 11.6 | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 25% PEG 6000, 0.1 M Tris-HCl |