6EDF
Fragment of a tyrosine-protein kinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-12 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 23.991, 36.233, 38.646 |
Unit cell angles | 90.00, 99.52, 90.00 |
Refinement procedure
Resolution | 26.270 - 1.400 |
R-factor | 0.1448 |
Rwork | 0.143 |
R-free | 0.17210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3uf4 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.848 |
Data reduction software | XDS (0.7.2) |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.230 | 36.230 | 1.420 |
High resolution limit [Å] | 1.400 | 7.540 | 1.400 |
Rmerge | 0.053 | 0.026 | 0.400 |
Rmeas | 0.063 | 0.031 | 0.487 |
Rpim | 0.032 | 0.017 | 0.272 |
Total number of observations | 47091 | 303 | 1743 |
Number of reflections | 12781 | ||
<I/σ(I)> | 16.5 | 41.9 | 3.3 |
Completeness [%] | 98.4 | 98.1 | 87.7 |
Redundancy | 3.7 | 3.3 | 3.1 |
CC(1/2) | 0.999 | 0.998 | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG3350, 0.2 M magnesium acetate |