3TRY
Crystal structure of racemic villin headpiece subdomain in space group I-4c2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2011-04-18 |
| Detector | BRUKER SMART 6000 |
| Spacegroup name | I -4 c 2 |
| Unit cell lengths | 63.128, 63.128, 39.135 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.319 - 2.300 |
| R-factor | 0.20186 |
| Rwork | 0.200 |
| R-free | 0.23006 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yrf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.750 |
| Data reduction software | SAINT (V7.68A) |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.319 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 1772 | |
| <I/σ(I)> | 16.39 | 8.58 |
| Completeness [%] | 97.1 | 100 |
| Redundancy | 17.58 | 16.21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.75 | 298 | 2.0 M ammonium sulfate, 6% isopropanol, pH 5.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
