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 |
