4FN3
Crystal Structure of an S52A mutant of the Restriction-Modification Controller Protein C.Esp1396I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-06 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 46.590, 51.320, 74.380 |
| Unit cell angles | 90.00, 95.46, 90.00 |
Refinement procedure
| Resolution | 34.410 - 1.790 |
| R-factor | 0.1802 |
| Rwork | 0.179 |
| R-free | 0.20690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.171 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.043 | 37.021 | 1.880 |
| High resolution limit [Å] | 1.786 | 5.650 | 1.790 |
| Rmerge | 0.053 | 0.434 | |
| Total number of observations | 3258 | 14381 | |
| Number of reflections | 16667 | ||
| <I/σ(I)> | 11.6 | 8 | 1.5 |
| Completeness [%] | 99.8 | 99.8 | 99.8 |
| Redundancy | 5.9 | 5.9 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 200mM Sodium Sulphate, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
