5TH6
Structure determination of a potent, selective antibody inhibitor of human MMP9 (apo MMP9)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.546, 69.233, 84.093 |
| Unit cell angles | 90.00, 101.77, 90.00 |
Refinement procedure
| Resolution | 46.218 - 1.700 |
| R-factor | 0.2081 |
| Rwork | 0.207 |
| R-free | 0.23460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l6j |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.836 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 4.100 | 1.700 |
| Rmerge | 0.069 | 0.041 | 0.306 |
| Rmeas | 0.080 | 0.048 | 0.358 |
| Rpim | 0.041 | 0.025 | 0.185 |
| Total number of observations | 350236 | ||
| Number of reflections | 93918 | ||
| <I/σ(I)> | 11 | ||
| Completeness [%] | 99.4 | 99.8 | 98.6 |
| Redundancy | 3.7 | 3.7 | 3.7 |
| CC(1/2) | 0.997 | 0.928 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 12% (v/v) PEG 8000 0.3 M lithium sulfate 0.1 M sodium acetate, pH 5.0 |
