6C7H
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 18 Design Trp50Ala mutant
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 | 2017-11-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 97.438, 97.438, 156.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.520 - 2.430 |
R-factor | 0.2215 |
Rwork | 0.219 |
R-free | 0.26450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d2w |
RMSD bond length | 0.008 |
RMSD bond angle | 1.041 |
Data reduction software | XDS (VERSION Jun 1, 2017) |
Data scaling software | Aimless (version 1.11.4) |
Phasing software | MOLREP (Vers 11.5.05) |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.520 | 2.520 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.205 | 5.876 |
Rmeas | 0.209 | 5.956 |
Number of reflections | 17228 | 1663 |
<I/σ(I)> | 11.62 | 0.57 |
Completeness [%] | 99.5 | 100 |
Redundancy | 35.4 | 37.9 |
CC(1/2) | 0.999 | 0.334 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 15 % (W/V) PEG3350, 0.1 M BIS-TRIS PROPANE, PH 8.5, 0.2M NAF |