4J1Y
The X-ray crystal structure of human complement protease C1s zymogen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953695 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 149.890, 158.900, 78.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.273 - 2.664 |
R-factor | 0.2034 |
Rwork | 0.201 |
R-free | 0.25880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1elv |
RMSD bond length | 0.011 |
RMSD bond angle | 1.524 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BALBES (/ MOLREP) |
Refinement software | PHENIX ((phenix.refine: dev_1048)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.810 | 63.810 | 2.730 |
High resolution limit [Å] | 2.660 | 11.920 | 2.660 |
Rmerge | 0.093 | 0.040 | 1.125 |
Number of reflections | 27108 | ||
<I/σ(I)> | 48.9 | 2.5 | |
Completeness [%] | 99.3 | 97 | 97.8 |
Redundancy | 12.2 | 10.6 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 18% PEG 3350, 0.2M potassium nitrate., pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |