5CNU
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to ADP and dGTP at 3.40 Angstroms resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 274.340, 157.009, 166.039 |
| Unit cell angles | 90.00, 119.72, 90.00 |
Refinement procedure
| Resolution | 49.653 - 3.400 |
| R-factor | 0.1864 |
| Rwork | 0.185 |
| R-free | 0.22050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4erm |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.661 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 (1.3) |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.664 | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.127 | 0.499 |
| Number of reflections | 80047 | |
| <I/σ(I)> | 8.1 | 2.4 |
| Completeness [%] | 93.6 | 95.2 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2% (w/v) PEG 3350, 100 mM MOPS pH 7.5, 300 mM Mg(CH3COO)2, 30 mM MgCl2, and 5% (v/v) glycerol |
