3NIC
DNA binding and cleavage by the GIY-YIG endonuclease R.Eco29kI inactive variant Y49F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2010-05-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 99.870, 101.346, 142.346 |
Unit cell angles | 90.00, 109.59, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
R-factor | 0.20996 |
Rwork | 0.206 |
R-free | 0.27856 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | DNA-bound-L69K-E142Q-R.Eco29kI |
RMSD bond length | 0.016 |
RMSD bond angle | 1.971 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.106 | 0.345 |
Number of reflections | 62596 | |
<I/σ(I)> | 18.69 | 4.36 |
Completeness [%] | 99.5 | 97.7 |
Redundancy | 7.4 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.1 M sodium acetate trihydrate, 2M ammonium sulphate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | sodium acetate trihydrate | ||
2 | 1 | 1 | ammonium sulphate | ||
3 | 1 | 2 | sodium acetate trihydrate | ||
4 | 1 | 2 | ammonium sulphate |