5HXK
Structure of TTHA1265
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-24 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 116.544, 116.544, 165.726 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.661 - 2.000 |
R-factor | 0.1889 |
Rwork | 0.187 |
R-free | 0.22500 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.932 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.200 | 0.800 |
Number of reflections | 88245 | |
<I/σ(I)> | 8.4 | 2.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | PEG 10000, Ammonium acetate |