3TRW
Crystal structure of racemic villin headpiece subdomain crystallized in space group P-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P -1 |
| Unit cell lengths | 28.380, 31.730, 36.750 |
| Unit cell angles | 90.12, 99.61, 96.52 |
Refinement procedure
| Resolution | 27.794 - 2.100 |
| R-factor | 0.2942 |
| Rwork | 0.291 |
| R-free | 0.35180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yrf |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.352 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.794 | 2.130 | |
| High resolution limit [Å] | 2.100 | 5.690 | 2.100 |
| Rmerge | 0.077 | ||
| Number of reflections | 7112 | 421 | 375 |
| <I/σ(I)> | 8.66 | 16.34 | 3.02 |
| Completeness [%] | 97.0 | 97.5 | 97.3 |
| Redundancy | 3.71 | 3.72 | 3.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 298 | 2.0 M ammonium sulfate, 6% isopropanol, 8% glycerol, pH 5.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
