6CT3
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 27 round 7-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-03-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 80.348, 80.348, 106.332 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.700 - 1.900 |
| R-factor | 0.2046 |
| Rwork | 0.203 |
| R-free | 0.22920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d38 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.912 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.700 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.260 | 0.115 |
| Rmeas | 0.260 | |
| Number of reflections | 28119 | 1830 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 26.6 | 26 |
| CC(1/2) | 0.998 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.5 M (NH4)2SO4, 0.8 M Li2SO4, 0.1 M Na3citrate pH 5.6 |
