4RNC
Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-07-28 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 212.926, 45.383, 77.443 |
| Unit cell angles | 90.00, 105.82, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.1635 |
| Rwork | 0.161 |
| R-free | 0.21190 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.692 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
| Rmerge | 0.079 | 0.043 | 0.594 |
| Number of reflections | 52476 | ||
| <I/σ(I)> | 12.9 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 4 | 4.1 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 3 M Na/K Phosphate, 0.1M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
