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 |
