1U4D
Structure of the ACK1 Kinase Domain bound to Debromohymenialdisine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-03-09 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.552, 42.918, 85.149 |
Unit cell angles | 90.00, 112.02, 90.00 |
Refinement procedure
Resolution | 46.600 - 2.100 |
R-factor | 0.205 |
Rwork | 0.203 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB CODE 1U46 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.810 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.600 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 32292 | |
<I/σ(I)> | 14.6 | 2.6 |
Completeness [%] | 99.7 | 98.3 |
Redundancy | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 291 | PEG 2000, sodium chloride, magnesium chloride, TRIS, TCEP, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K, pH 7.50 |