6IE9
RamR in complex with chenodeoxycholic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.436, 53.576, 43.837 |
Unit cell angles | 90.00, 93.29, 90.00 |
Refinement procedure
Resolution | 32.080 - 1.780 |
R-factor | 0.199 |
Rwork | 0.196 |
R-free | 0.25260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vvx |
RMSD bond length | 0.020 |
RMSD bond angle | 2.009 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (10.2.35) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.810 |
High resolution limit [Å] | 1.780 | 4.830 | 1.780 |
Rmerge | 0.040 | 0.024 | 0.392 |
Total number of observations | 145509 | ||
Number of reflections | 18975 | 929 | |
<I/σ(I)> | 15.9 | ||
Completeness [%] | 97.9 | 88.5 | 97.4 |
Redundancy | 7.7 | 6.7 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M MES pH6.5, 0.2M Ammonium Sulfate, 20% PEG6000 |