3NAE
RB69 DNA Polymerase (Y567A) Ternary Complex with dATP Opposite Guanidinohydantoin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.10000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.013, 119.783, 130.727 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.240 - 2.003 |
| R-factor | 0.19596 |
| Rwork | 0.194 |
| R-free | 0.23092 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ig9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.106 |
| 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] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.078 | 1.000 |
| Number of reflections | 69794 | |
| <I/σ(I)> | 14.3 | 0.958 |
| Completeness [%] | 93.7 | 75.8 |
| Redundancy | 4.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | micro-batch vapor-diffusion | 6.5 | 293 | 15%(w/v) PEG 350 monomethyl ether (MME), 150 mM CaCl2, and 100 mM NaCacodylate (pH 6.5), micro-batch vapor-diffusion, temperature 293K |
