3TDP
Crystal structure of HSC at pH 4.5
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 | C 2 2 21 |
Unit cell lengths | 120.515, 162.903, 194.104 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.440 - 2.990 |
R-factor | 0.189 |
Rwork | 0.186 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.847 |
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 | 3.050 |
High resolution limit [Å] | 2.990 | 8.130 | 3.000 |
Rmerge | 0.138 | 0.038 | 0.707 |
Number of reflections | 38717 | ||
<I/σ(I)> | 5.7 | ||
Completeness [%] | 99.9 | 99.5 | 98.5 |
Redundancy | 7.1 | 6.7 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.5 | 298 | PEG 6000, pH 4.5, VAPOR DIFFUSION, temperature 298K |