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 |