3A6U
Crystal structure of MutT-8-OXO-dGMP-MN(II) complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL40B2 |
Synchrotron site | SPring-8 |
Beamline | BL40B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-04-24 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.2906 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.234, 56.003, 59.339 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.200 - 2.560 |
R-factor | 0.193 |
Rwork | 0.193 |
R-free | 0.24200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3a6t |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.560 | 2.720 |
High resolution limit [Å] | 2.560 | 2.560 |
Rmerge | 0.077 | 0.152 |
Number of reflections | 4395 | |
<I/σ(I)> | 45.9 | 22.6 |
Completeness [%] | 99.2 | 95.7 |
Redundancy | 6.03 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 288 | 2.0M AMMONIUM SULFATE, 0.2M POTASSIUM SODIUM TARTRATE, 0.1M TRISODIUM CITRATE, pH 5.60, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 288 | 2.0M AMMONIUM SULFATE, 0.2M POTASSIUM SODIUM TARTRATE, 0.1M TRISODIUM CITRATE, pH 5.60, VAPOR DIFFUSION, HANGING DROP, temperature 288K |