3RAQ
Dpo4 extension ternary complex with 3'-terminal primer C base opposite the 1-methylguanine (MG1) lesion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Detector technology | CCD |
Collection date | 2006-07-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 |
Unit cell lengths | 52.194, 62.077, 91.459 |
Unit cell angles | 98.97, 103.82, 93.72 |
Refinement procedure
Resolution | 20.000 - 2.250 |
R-factor | 0.19589 |
Rwork | 0.194 |
R-free | 0.23505 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gij |
RMSD bond length | 0.008 |
RMSD bond angle | 1.420 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.310 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.107 | |
Number of reflections | 51859 | |
<I/σ(I)> | 2 | |
Completeness [%] | 98.4 | 96.8 |
Redundancy | 3.6 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM HEPES, pH 7.0, 100 mM calcium acetate and 10% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |