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 |