5Z41
Aquifex aeolicus MutL endonuclease domain with a single zinc ion.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-15 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 68.697, 68.697, 36.642 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.747 - 1.700 |
| R-factor | 0.2216 |
| Rwork | 0.218 |
| R-free | 0.25640 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.838 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.074 | 0.802 |
| Rmeas | 0.078 | 0.842 |
| Rpim | 0.024 | 0.253 |
| Number of reflections | 11089 | 538 |
| <I/σ(I)> | 55.7 | 3.45 |
| Completeness [%] | 98.7 | 97.1 |
| Redundancy | 10.7 | 10.9 |
| CC(1/2) | 0.962 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 50 mM Tris-HCl, 100 mM magnesium chloride, 12.5% polyethylene glycol 3,350, pH 8.5 |
