5D30
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
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 | 2013-10-23 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 96.802, 96.802, 155.413 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.916 - 1.690 |
R-factor | 0.1851 |
Rwork | 0.183 |
R-free | 0.21790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rkx |
RMSD bond length | 0.017 |
RMSD bond angle | 1.688 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 41.920 |
High resolution limit [Å] | 1.690 |
Rmerge | 0.126 |
Number of reflections | 48768 |
<I/σ(I)> | 17.38 |
Completeness [%] | 100.0 |
Redundancy | 19.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 25mM HEPES, pH 7.25, 0.1M NaCl |