5DMU
Structure of the NHEJ polymerase from Methanocella paludicola
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-12 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.420, 60.550, 59.410 |
| Unit cell angles | 90.00, 101.02, 90.00 |
Refinement procedure
| Resolution | 58.310 - 1.949 |
| R-factor | 0.1502 |
| Rwork | 0.148 |
| R-free | 0.19540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iru |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.820 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 58.315 | 13.930 | 2.050 |
| High resolution limit [Å] | 1.949 | 6.160 | 1.950 |
| Rmerge | 0.034 | 0.200 | |
| Rmeas | 0.084 | ||
| Rpim | 0.044 | 0.022 | 0.140 |
| Total number of observations | 77013 | 2390 | 7307 |
| Number of reflections | 22140 | ||
| <I/σ(I)> | 13.8 | 25.1 | 4.9 |
| Completeness [%] | 97.4 | 91.1 | 84 |
| Redundancy | 3.5 | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 285 | 200 mM ammonium sulfate, 20% (w/v) PEG 335 |
