5D32
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
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 | 2013-10-18 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.881, 82.281, 170.934 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.962 - 2.100 |
R-factor | 0.2025 |
Rwork | 0.200 |
R-free | 0.24880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3iiv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.027 |
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] | 18.960 |
High resolution limit [Å] | 2.100 |
Rmerge | 0.169 |
Number of reflections | 32914 |
<I/σ(I)> | 10.55 |
Completeness [%] | 99.8 |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 15% (W/V) PEG 3350, 0.1M BIS-TRIS PROPANE, PH 8.5, 0.2M NAF |