3C9S
AaThiL complexed with AMPPCP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.204, 67.137, 203.472 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.720 - 2.200 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.25600 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.051 | 0.325 |
| Number of reflections | 42317 | |
| <I/σ(I)> | 23.2 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 7.1 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | 6-11% isopropanol, 200 mM NaCl, 4-6% 2-methyl-2,4-pentanediol, 10 mM CaCl2, pH 7.4, vapor diffusion, hanging drop, temperature 295K |
