5EEG
Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with tetrazole-SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.562, 104.180, 62.986 |
| Unit cell angles | 90.00, 105.20, 90.00 |
Refinement procedure
| Resolution | 29.854 - 2.255 |
| R-factor | 0.1995 |
| Rwork | 0.197 |
| R-free | 0.24790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tw2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.959 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX ((phenix.refine: 1.9_1692)) |
| Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 6.090 | 2.250 |
| Rmerge | 0.134 | 0.085 | 0.346 |
| Rmeas | 0.153 | 0.098 | 0.397 |
| Rpim | 0.072 | 0.047 | 0.191 |
| Total number of observations | 153712 | ||
| Number of reflections | 35379 | ||
| <I/σ(I)> | 4.1 | ||
| Completeness [%] | 99.6 | 99.7 | 99.7 |
| Redundancy | 4.3 | 4.3 | 4.2 |
| CC(1/2) | 0.989 | 0.887 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 100 mM magnesium formate dihydrate and 15% (w/v) PEG 3,350 |
