4P3A
Crystal structure of the mouse C5a anaphylatoxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-25 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9792 |
Spacegroup name | P 43 |
Unit cell lengths | 54.950, 54.950, 117.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.889 - 1.400 |
R-factor | 0.1457 |
Rwork | 0.144 |
R-free | 0.17400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cu7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.198 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1593)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.500 | |
High resolution limit [Å] | 1.400 | 20.000 | 1.400 |
Rmerge | 0.064 | 0.020 | 0.742 |
Rmeas | 0.073 | 0.022 | 0.849 |
Total number of observations | 284826 | ||
Number of reflections | 68172 | 17 | 12739 |
<I/σ(I)> | 15.1 | 42.1 | 2.33 |
Completeness [%] | 99.8 | 65.4 | 99.8 |
Redundancy | 4.2 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.7 | 277 | 0.1 M Na tri-citrate pH 3.7, 2.6 M Na formate, 0.5% (w/v) polyvinylpyrrolidone K15 |