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 |