3TDR
Crystal structure of HSC at pH 7.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.975 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.886, 101.612, 168.357 |
Unit cell angles | 90.00, 90.16, 90.00 |
Refinement procedure
Resolution | 48.380 - 3.200 |
R-factor | 0.191 |
Rwork | 0.187 |
R-free | 0.27900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.157 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.260 |
High resolution limit [Å] | 3.200 | 8.670 | 3.200 |
Rmerge | 0.061 | 0.022 | 0.563 |
Number of reflections | 53087 | ||
<I/σ(I)> | 12.4 | ||
Completeness [%] | 98.8 | 98.1 | 97.2 |
Redundancy | 3.4 | 3.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 298 | PEG 400, pH 7.5, vapor diffusion, temperature 298K |