4O0I
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with 2'-MeSe-arabino-guanosine derivatized DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.770, 93.967, 106.041 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.039 - 2.203 |
R-factor | 0.1789 |
Rwork | 0.176 |
R-free | 0.22760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dwi |
RMSD bond length | 0.011 |
RMSD bond angle | 1.258 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 70.328 | 30.000 | 2.280 |
High resolution limit [Å] | 2.203 | 4.730 | 2.203 |
Rmerge | 0.081 | 0.038 | 0.370 |
Number of reflections | 42234 | ||
<I/σ(I)> | 10.7 | ||
Completeness [%] | 95.0 | 99.3 | 77.9 |
Redundancy | 5.6 | 6.7 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 25% PEG3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |