3TE2
Crystal structure of HSC K16S
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 |
Collection date | 2010-10-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.975 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.689, 118.704, 150.672 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.140 - 2.300 |
R-factor | 0.187 |
Rwork | 0.185 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kly |
RMSD bond length | 0.004 |
RMSD bond angle | 0.959 |
Data reduction software | DENZO |
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 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.133 | 0.055 | 0.804 |
Number of reflections | 79396 | ||
<I/σ(I)> | 8.2 | ||
Completeness [%] | 99.9 | 97.8 | 99.9 |
Redundancy | 7.1 | 6.3 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9 | 298 | PEG 400, pH 9.0, VAPOR DIFFUSION, temperature 298K |