6QLW
Cathepsin-K in complex with MIV-710
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 | 2008-06-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0723 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.727, 69.484, 78.680 |
Unit cell angles | 90.00, 100.89, 90.00 |
Refinement procedure
Resolution | 74.473 - 2.000 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.710 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER (2.8.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.473 | 74.473 | 2.050 |
High resolution limit [Å] | 2.000 | 8.720 | 2.000 |
Rmerge | 0.148 | 0.074 | 0.596 |
Rmeas | 0.175 | 0.086 | 0.767 |
Rpim | 0.091 | 0.042 | 0.475 |
Number of reflections | 52114 | 695 | 3142 |
<I/σ(I)> | 7 | ||
Completeness [%] | 96.0 | 99.4 | 75.4 |
Redundancy | 3.3 | 3.9 | 2.1 |
CC(1/2) | 0.980 | 0.988 | 0.554 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 291 | 25mM ADA pH6.1, 250mM sodium nitrate and 20% PEG 5k.mme |