6ERE
Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes3/Imdes3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-06-06 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 63.841, 113.374, 117.304 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.250 |
| R-factor | 0.20002 |
| Rwork | 0.197 |
| R-free | 0.25592 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6er6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.713 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.630 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.133 | 0.460 |
| Number of reflections | 20578 | 2005 |
| <I/σ(I)> | 6.9 | 2.4 |
| Completeness [%] | 98.8 | 99.4 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 292 | 25% PEG 200, 50mM Sodium phosphate dibasic/ Citric acid pH=4.2 and 100mM NaCl |
