5WET
Crystal Structure of H2-Dd with disulfide-linked 6mer peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2016-06-12 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.324, 63.171, 91.558 |
Unit cell angles | 90.00, 106.46, 90.00 |
Refinement procedure
Resolution | 36.859 - 2.640 |
R-factor | 0.1925 |
Rwork | 0.190 |
R-free | 0.24310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.628 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.880 | 2.730 |
High resolution limit [Å] | 2.640 | 2.640 |
Rmerge | 0.117 | 0.367 |
Rpim | 0.066 | 0.190 |
Number of reflections | 15348 | 1513 |
<I/σ(I)> | 7.49 | 3.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.7 | 3.7 |
CC(1/2) | 0.994 | 0.596 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 10-15% PEG 20000, 0.1M MES |