3KW1
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - Wild type FlK in complex with FAcOPan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.840, 71.547, 102.507 |
Unit cell angles | 90.00, 102.92, 90.00 |
Refinement procedure
Resolution | 40.960 - 1.900 |
R-factor | 0.21218 |
Rwork | 0.209 |
R-free | 0.26948 |
Starting model (for MR) | 1hnn |
RMSD bond length | 0.021 |
RMSD bond angle | 1.891 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.340 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 82906 | |
Completeness [%] | 94.5 | 94 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 298 | CHES tri-sodium citrate, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |