2H43
Crystal Structure of Human Fragment D Complexed with Ala-His-Arg-Pro-amide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 105.000, 47.900, 171.400 |
Unit cell angles | 90.00, 105.41, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.700 |
R-factor | 0.244 |
Rwork | 0.251 |
R-free | 0.30700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.448 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 42201 | |
Completeness [%] | 91.9 | 63.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | fragment D, 5 mg/mil, 4mM AHRPam, 50mM Tris, pH 7.5, 7.5% PEG, 7.5mM CaCl2, 1mM sodium azide, VAPOR DIFFUSION, SITTING DROP, temperature 295K |