3TJW
Crystal Structure of Quasiracemic Villin Headpiece Subdomain Containing (F5Phe10) Substitution
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 | 2010-10-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 38.656, 88.112, 88.663 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.880 - 1.460 |
| R-factor | 0.1521 |
| Rwork | 0.150 |
| R-free | 0.18950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.733 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.880 | 50.000 | 1.490 |
| High resolution limit [Å] | 1.460 | 3.960 | 1.460 |
| Number of reflections | 13191 | ||
| <I/σ(I)> | 34.6 | ||
| Completeness [%] | 98.7 | 90.1 | 86.2 |
| Redundancy | 14.4 | 12.2 | 13 |
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 298.0K |
