3Q2J
Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type IIIa Protein Kinase Inhibitor CKI-7 Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-06-29 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.072 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.837, 91.852, 131.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.587 - 2.150 |
R-factor | 0.1937 |
Rwork | 0.189 |
R-free | 0.23490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j7l |
RMSD bond length | 0.008 |
RMSD bond angle | 1.081 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 32199 | |
<I/σ(I)> | 14.3 | 3.4 |
Completeness [%] | 95.8 | 75.1 |
Redundancy | 4.2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 18% PEG 3000, Tris pH o8.0, 0.2M calcium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |