6QMT
Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-01-06 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 |
Unit cell lengths | 37.964, 39.235, 63.502 |
Unit cell angles | 83.03, 75.34, 65.17 |
Refinement procedure
Resolution | 35.600 - 1.800 |
R-factor | 0.2035 |
Rwork | 0.202 |
R-free | 0.23120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dsu |
RMSD bond length | 0.016 |
RMSD bond angle | 1.921 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.410 | 1.730 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.050 | 0.310 |
Rmeas | 0.063 | 0.400 |
Number of reflections | 37403 | 5507 |
<I/σ(I)> | 10.93 | 2.49 |
Completeness [%] | 92.9 | 84.3 |
Redundancy | 2.35 | 2.15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25% PEGME 3350, 100 mM Bis-Tris pH 5.5 |