4W7P
Crystal Structure of ROCK 1 bound to YB-15-QD37
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-29 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9998 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.545, 179.659, 89.269 |
Unit cell angles | 90.00, 104.59, 90.00 |
Refinement procedure
Resolution | 86.390 - 2.800 |
R-factor | 0.2076 |
Rwork | 0.206 |
R-free | 0.24620 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | BUSTER-TNT (BUSTER 2.11.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.830 | 2.870 | |
High resolution limit [Å] | 2.800 | 12.520 | 2.800 |
Rmerge | 0.091 | 0.033 | 0.540 |
Rmeas | 0.106 | 0.039 | 0.629 |
Total number of observations | 173943 | ||
Number of reflections | 45876 | 517 | 3382 |
<I/σ(I)> | 12.05 | 24.43 | 2.64 |
Completeness [%] | 99.5 | 96.6 | 100 |
Redundancy | 3.79 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES PH 5.5, 50 mM CACL2, 7% PEG 3350 |