5NAW
Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-16 |
Detector | MARRESEARCH |
Wavelength(s) | 0.99999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.862, 49.444, 39.238 |
Unit cell angles | 90.00, 106.51, 90.00 |
Refinement procedure
Resolution | 26.780 - 1.250 |
R-factor | 0.13035 |
Rwork | 0.128 |
R-free | 0.17791 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1TACE |
RMSD bond length | 0.029 |
RMSD bond angle | 2.521 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.560 | 1.280 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.032 | 0.326 |
Number of reflections | 55553 | |
<I/σ(I)> | 17.82 | 2.24 |
Completeness [%] | 97.7 | 84.5 |
Redundancy | 2.88 | 1.88 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 27% PEG 3350 100 mM HEPES pH 7.5 |