3N7B
SgrAI bound to secondary site DNA and Ca(II)
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 | CCD |
| Collection date | 2008-04-08 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 108.682, 133.662, 64.748 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.320 - 2.650 |
| R-factor | 0.17617 |
| Rwork | 0.173 |
| R-free | 0.24776 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.683 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0031) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.324 | 2.720 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.119 | 0.383 |
| Number of reflections | 28125 | |
| <I/σ(I)> | 10.1 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 25 to 21% PEG 4K, 0.1 M HEPES buffer, 0.15-0.20 M NaCl, 0.05 M CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 4K | ||
| 2 | 1 | 1 | HEPES | ||
| 3 | 1 | 1 | NaCl | ||
| 4 | 1 | 1 | CaCl2 | ||
| 5 | 1 | 2 | PEG 4K | ||
| 6 | 1 | 2 | HEPES | ||
| 7 | 1 | 2 | NaCl | ||
| 8 | 1 | 2 | CaCl2 |
