2HXX
Aminotryptophan Barstar
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-01-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.160, 46.850, 51.060 |
| Unit cell angles | 90.00, 121.34, 90.00 |
Refinement procedure
| Resolution | 17.140 - 2.000 |
| R-factor | 0.251 |
| Rwork | 0.251 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.600 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.079 | |
| Number of reflections | 11770 | |
| <I/σ(I)> | 19.01 | |
| Completeness [%] | 95.9 | 88.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 2.4 M Ammonium sulfate, 50 mM Tris/Hcl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
