4RTD
Escherichia coli alpha-2-macroglobulin activated by porcine elastase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97620 |
Spacegroup name | H 3 |
Unit cell lengths | 176.065, 176.065, 161.131 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.870 - 3.650 |
R-factor | 0.18042 |
Rwork | 0.177 |
R-free | 0.23831 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.529 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | AutoSol |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.870 | 4.000 |
High resolution limit [Å] | 3.650 | 3.650 |
Rmerge | 0.077 | 0.744 |
Number of reflections | 20753 | |
<I/σ(I)> | 13.2 | 2.1 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 26.6 | 26.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1 M potassium chloride, 25% SOKALAN CP7, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |