4U5P
Crystal structure of native RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at 1.78 Angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9395 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 54.690, 98.550, 188.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.352 - 1.782 |
| R-factor | 0.1516 |
| Rwork | 0.150 |
| R-free | 0.18710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c6v |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.086 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 94.265 | 46.352 | 1.880 |
| High resolution limit [Å] | 1.780 | 5.640 | 1.780 |
| Rmerge | 0.046 | 0.257 | |
| Rmeas | 0.099 | ||
| Rpim | 0.052 | 0.029 | 0.165 |
| Total number of observations | 129204 | 4460 | 18365 |
| Number of reflections | 42398 | ||
| <I/σ(I)> | 7.9 | 14.1 | 2.9 |
| Completeness [%] | 86.8 | 86.8 | 88.7 |
| Redundancy | 3 | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 24-28% PEG 3350, 100mM Bis-tris propane |
