5I1P
Villin headpiece subdomain with a Lys30 to beta-3-homolysine 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 | 2014-02-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 |
Unit cell lengths | 24.570, 40.600, 59.020 |
Unit cell angles | 96.45, 90.66, 95.37 |
Refinement procedure
Resolution | 40.160 - 1.400 |
Rwork | 0.210 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3try |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.160 | 1.440 | |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.067 | 0.032 | 1.370 |
Number of reflections | 42605 | ||
<I/σ(I)> | 9.76 | 31.52 | 1.07 |
Completeness [%] | 95.8 | 96.1 | 93.3 |
Redundancy | 3.9 | ||
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris-HCl pH 8.5, 20% (v/v) ethanol |