3DW9
SgrAI with cognate DNA and manganese bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.261, 117.101, 63.702 |
| Unit cell angles | 90.00, 112.96, 90.00 |
Refinement procedure
| Resolution | 58.620 - 2.200 |
| R-factor | 0.17678 |
| Rwork | 0.174 |
| R-free | 0.23957 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.946 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0031) |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.200 |
| Rmerge | 0.074 |
| Number of reflections | 35508 |
| <I/σ(I)> | 16 |
| Completeness [%] | 88.6 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | PEG4000, buffer, NaCl, MnCl2, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG4000 | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | MnCl2 | ||
| 4 | 1 | 2 | PEG4000 | ||
| 5 | 1 | 2 | NaCl | ||
| 6 | 1 | 2 | MnCl2 |
