3POF
Crystal structure of MASP-1 CUB2 domain bound to Ca2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 3 |
Unit cell lengths | 100.460, 100.460, 100.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.010 - 1.501 |
R-factor | 0.11896 |
Rwork | 0.117 |
R-free | 0.14886 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3poe |
RMSD bond length | 0.034 |
RMSD bond angle | 2.396 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.590 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.076 | 0.331 |
Number of reflections | 53908 | |
<I/σ(I)> | 18.5 | 4.38 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 4.92 | 4.92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 279 | 1.5M lithium sulfate, 100mM tris buffer, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 279K |