3TDS
Crystal structure of HSC F194I
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 21 21 21 |
Unit cell lengths | 98.611, 118.051, 150.019 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.974 - 1.975 |
R-factor | 0.1782 |
Rwork | 0.177 |
R-free | 0.20510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.899 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 1.975 | 5.510 | 2.030 |
Rmerge | 0.093 | 0.052 | 0.771 |
<I/σ(I)> | 9.4 | ||
Completeness [%] | 99.7 | 94.9 | 100 |
Redundancy | 7.3 | 6.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 298 | PEG 400, pH 7.5, vapor diffusion, temperature 298K |