3TRV
Crystal structure of quasiracemic villin headpiece subdomain containing (F5Phe17) substitution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.729252 |
| Spacegroup name | P 1 |
| Unit cell lengths | 20.188, 22.390, 32.512 |
| Unit cell angles | 75.06, 82.00, 87.56 |
Refinement procedure
| Resolution | 21.630 - 1.000 |
| R-factor | 0.1376 |
| Rwork | 0.137 |
| R-free | 0.15460 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.728 |
| Data reduction software | XPREP (2008/2 for Windows) |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.630 | 1.030 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Number of reflections | 28183 | |
| <I/σ(I)> | 11.44 | 9.65 |
| Completeness [%] | 95.7 | 93 |
| Redundancy | 4.1 | 3.67 |
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 |
