6DNJ
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 28 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 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 97.350, 97.350, 156.171 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.000 - 1.650 |
R-factor | 0.17212 |
Rwork | 0.172 |
R-free | 0.18152 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5c7m |
RMSD bond length | 0.008 |
RMSD bond angle | 1.297 |
Data reduction software | XDS |
Data scaling software | Aimless (1.11.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.130 | 2.000 |
Rmeas | 0.130 | |
Number of reflections | 52414 | 2555 |
<I/σ(I)> | 15.4 | 0.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 18.8 | 8.7 |
CC(1/2) | 0.999 | 0.380 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.25 | 277 | 25 mM HEPES, pH 7.25, 0.1 M NaCl |