6QLM
Cathepsin-K in complex with MIV-701
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0723 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.537, 51.855, 57.260 |
| Unit cell angles | 74.34, 76.39, 84.70 |
Refinement procedure
| Resolution | 53.790 - 1.500 |
| R-factor | 0.1032 |
| Rwork | 0.101 |
| R-free | 0.14200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.630 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.790 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.114 | 0.375 |
| Rmeas | 0.126 | 0.458 |
| Rpim | 0.054 | 0.256 |
| Total number of observations | 250084 | |
| Number of reflections | 50544 | 1007 |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 84.8 | 33.2 |
| Redundancy | 4.9 | 2.9 |
| CC(1/2) | 0.990 | 0.701 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 291 | 25mM ADA pH6.1, 300mM NaCl & 20% PEG 5k.mme |
