3MQY
SgrAI with cleaved DNA and Magnesium bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.976067 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.163, 119.980, 69.857 |
| Unit cell angles | 90.00, 102.68, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.19886 |
| Rwork | 0.196 |
| R-free | 0.24933 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dw9 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.972 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0031) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.096 | 0.739 |
| Number of reflections | 62914 | |
| <I/σ(I)> | 10.16 | 2.32 |
| Completeness [%] | 98.1 | 99 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | PEG 4000, NACL, HEPES BUFFER, MGCL2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 4000 | ||
| 2 | 1 | 1 | NACL | ||
| 3 | 1 | 1 | HEPES | ||
| 4 | 1 | 1 | MGCL2 | ||
| 5 | 1 | 2 | PEG 4000 | ||
| 6 | 1 | 2 | NACL | ||
| 7 | 1 | 2 | HEPES | ||
| 8 | 1 | 2 | MGCL2 |
