4DSJ
Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with duplex DNA, dGTP and Calcium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.016, 112.070, 229.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 114.730 - 2.860 |
R-factor | 0.21758 |
Rwork | 0.213 |
R-free | 0.27710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 3ht3 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.549 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 114.730 | 3.000 |
High resolution limit [Å] | 2.860 | 2.900 |
Number of reflections | 32948 | |
<I/σ(I)> | 15.8 | 2 |
Completeness [%] | 91.3 | 89.8 |
Redundancy | 5.8 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 0.1 M Tris-Bris (pH 6.5), 28% PEG2000, VAPOR DIFFUSION, SITTING DROP |