3TE0
Crystal structure of HSC K148E
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 | 99.436, 118.468, 150.637 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.720 - 2.090 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.193 |
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 | 2.140 |
High resolution limit [Å] | 2.080 | 5.700 | 2.100 |
Rmerge | 0.105 | 0.065 | 0.693 |
Number of reflections | 105425 | ||
<I/σ(I)> | 8.8 | ||
Completeness [%] | 99.9 | 98.4 | 100 |
Redundancy | 7.1 | 6.6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9 | 298 | PEG 400, pH 9.0, VAPOR DIFFUSION, temperature 298K |