5X3R
Crystal structure of the SmcR complexed with QStatin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100.15 |
Detector technology | DIFFRACTOMETER |
Collection date | 2013-07-25 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.669, 99.210, 129.407 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.100 |
R-factor | 0.19077 |
Rwork | 0.187 |
R-free | 0.25794 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kz9 |
RMSD bond length | 0.029 |
RMSD bond angle | 2.525 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 59830 | |
<I/σ(I)> | 53.54 | |
Completeness [%] | 99.8 | |
Redundancy | 14.5 | 14.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294.15 | 0.2M Li2SO4, 7% PEG3000, 0.1 M imidazole, pH 8.0 |