4U5R
Crystal structure of D106A mutant of RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at 1.55 Angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-06-17 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.795, 57.784, 92.026 |
| Unit cell angles | 90.00, 90.41, 90.00 |
Refinement procedure
| Resolution | 43.994 - 1.550 |
| R-factor | 0.1605 |
| Rwork | 0.160 |
| R-free | 0.17490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4u5p |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 188.450 | 50.006 | 1.630 |
| High resolution limit [Å] | 1.550 | 4.900 | 1.550 |
| Rmerge | 0.082 | 0.255 | |
| Rmeas | 0.101 | ||
| Rpim | 0.057 | 0.054 | 0.189 |
| Total number of observations | 197991 | 6686 | 23982 |
| Number of reflections | 74309 | ||
| <I/σ(I)> | 7.4 | 11.3 | 3.5 |
| Completeness [%] | 97.5 | 93 | 92 |
| Redundancy | 2.7 | 2.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Halogens, 100mM Tris Bicine, 30% PEGMME 550 PEG 20000 |
