5D2V
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 4 Wild Type
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-11-20 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 96.437, 96.437, 155.148 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.046 - 2.020 |
| R-factor | 0.1925 |
| Rwork | 0.190 |
| R-free | 0.23710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rkx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.031 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.050 | 2.090 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.113 | 1.400 |
| Number of reflections | 28621 | |
| <I/σ(I)> | 13.31 | 1.57 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 8.2 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 25mM HEPES, pH 7.25, 0.1M NaCl |
