6C7V
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 22 round 5
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 | 97.968, 97.968, 155.927 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.720 - 1.640 |
R-factor | 0.2693 |
Rwork | 0.268 |
R-free | 0.29540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d30 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.922 |
Data reduction software | XDS (VERSION Jun 1, 2017) |
Data scaling software | Aimless (version 0.5.32) |
Phasing software | MOLREP (Vers 11.5.05) |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.720 | 1.699 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.024 | 1.093 |
Rmeas | 0.035 | 1.546 |
Number of reflections | 54654 | 5353 |
<I/σ(I)> | 10.11 | 0.55 |
Completeness [%] | 99.9 | 100 |
Redundancy | 2 | 2 |
CC(1/2) | 1.000 | 0.309 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 277 | 25 mM HEPES pH 7.25, 100 mM NaCl |