3Q2M
Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, Protein Kinase Inhibitor CKI-7 Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-10-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 74.300, 74.300, 137.024 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.320 - 2.900 |
R-factor | 0.221 |
Rwork | 0.221 |
R-free | 0.27900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3i1a |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.320 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 10144 | |
<I/σ(I)> | 18.8 | 4.2 |
Completeness [%] | 90.0 | 99.8 |
Redundancy | 7.2 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 15% PEG3350, 0.2M calcium acetate, manganese chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |