4QLS
yCP in complex with tripeptidic epoxyketone inhibitor 11
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-26 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 136.420, 299.950, 145.960 |
Unit cell angles | 90.00, 113.18, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.800 |
R-factor | 0.17997 |
Rwork | 0.179 |
R-free | 0.19857 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ryp |
RMSD bond length | 0.005 |
RMSD bond angle | 1.099 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.078 | 0.491 |
Number of reflections | 254162 | |
<I/σ(I)> | 11.7 | 2.3 |
Completeness [%] | 96.2 | 97.1 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 20mM MGAC2, 13% MPD, PH 6.8, 100mM MES, VAPOR DIFFUSION, HANGING DROP, temperature 293K |