4O37
seminsynthetic RNase S1-15-3Pl-7/11
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 43.820, 43.820, 96.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.610 - 1.400 |
| R-factor | 0.17571 |
| Rwork | 0.174 |
| R-free | 0.21136 |
| Structure solution method | direct refinement |
| Starting model (for MR) | 2rns |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.388 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.950 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.080 | 0.483 |
| Number of reflections | 21691 | |
| <I/σ(I)> | 10.6 | 3.1 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.8 | 292 | 100 mM sodium citrate 2.2 M ammonium sulfate, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
