3JR5
MutM lesion recognition control complex with N174C crosslinking site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-10 |
Detector | ADSC |
Wavelength(s) | 1.290 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.343, 95.377, 102.482 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.027 - 1.704 |
R-factor | 0.166 |
Rwork | 0.165 |
R-free | 0.18500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r2y |
RMSD bond length | 0.007 |
RMSD bond angle | 1.175 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.074 | 0.053 | 0.492 |
Number of reflections | 48192 | ||
<I/σ(I)> | 12.7 | ||
Completeness [%] | 98.4 | 99.6 | 95.8 |
Redundancy | 5.3 | 5.3 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 8K, sodium cacodylate, glycerol, pH 7.0, vapor diffusion, hanging drop, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 8K | ||
2 | 1 | 1 | sodium cacodylate | ||
3 | 1 | 1 | glycerol | ||
4 | 1 | 2 | PEG 8K | ||
5 | 1 | 2 | sodium cacodylate | ||
6 | 1 | 2 | glycerol |