3N78
SgrAI bound to Secondary Site DNA and Mg(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 | 108.794, 133.002, 64.623 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.349 - 2.950 |
R-factor | 0.1938 |
Rwork | 0.189 |
R-free | 0.28150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.347 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.6_289) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.210 | 3.030 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.114 | 0.392 |
Number of reflections | 19842 | |
<I/σ(I)> | 6.6 | 2 |
Completeness [%] | 97.3 | 96.2 |
Redundancy | 3.4 | 3.3 |
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 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 4K | ||
2 | 1 | 1 | HEPES | ||
3 | 1 | 1 | NaCl | ||
4 | 1 | 1 | MgCl2 | ||
5 | 1 | 2 | PEG 4K | ||
6 | 1 | 2 | HEPES | ||
7 | 1 | 2 | NaCl | ||
8 | 1 | 2 | MgCl2 |