4JGC
Human TDG N140A mutant IN A COMPLEX WITH 5-carboxylcytosine (5caC)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-30 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.486, 53.555, 81.902 |
Unit cell angles | 90.00, 95.10, 90.00 |
Refinement procedure
Resolution | 45.560 - 2.582 |
R-factor | 0.2324 |
Rwork | 0.230 |
R-free | 0.28330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fnc |
RMSD bond length | 0.019 |
RMSD bond angle | 1.196 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.560 | 2.680 |
High resolution limit [Å] | 2.582 | 2.582 |
Rmerge | 0.077 | 0.365 |
Number of reflections | 11604 | |
<I/σ(I)> | 15.7 | 2 |
Completeness [%] | 92.9 | 73.4 |
Redundancy | 4 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.6 | 289 | 30% polyethylene glycol (PEG) 4000, 0.2 M ammonium acetate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, temperature 289K |