5D2T
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 3 Wild Type
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-05 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 96.338, 96.338, 155.323 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.007 - 1.870 |
| R-factor | 0.1926 |
| Rwork | 0.191 |
| R-free | 0.23210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rkx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.004 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 46.007 |
| High resolution limit [Å] | 1.870 |
| Rmerge | 0.220 |
| Number of reflections | 35874 |
| <I/σ(I)> | 15.22 |
| Completeness [%] | 99.9 |
| Redundancy | 21.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 19% (W/V) PEG 3350, 0.1M BIS-TRIS PROPANE, PH 8.5, 0.2M NAF |
