7S8D
Structure of DNA-free SgrAI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.110, 72.379, 78.640 |
| Unit cell angles | 90.00, 107.95, 90.00 |
Refinement procedure
| Resolution | 38.000 - 2.020 |
| R-factor | 0.2034 |
| Rwork | 0.202 |
| R-free | 0.24580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3DVO chain A |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.432 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4080) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 2.097 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.076 | 0.392 |
| Rmeas | 0.107 | 0.554 |
| Rpim | 0.076 | 0.392 |
| Number of reflections | 47684 | 4428 |
| <I/σ(I)> | 8.92 | 2.16 |
| Completeness [%] | 97.5 | 91.34 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.993 | 0.522 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 5% PEG 4000 0.1 M imidazole pH 6.5 0.1 M NaCl 5 mM Ca(0Ac)2 |
