6QSX
Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol.
This is a non-PDB format compatible entry.
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 | 2011-06-01 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.592, 98.060, 61.721 |
Unit cell angles | 90.00, 99.17, 90.00 |
Refinement procedure
Resolution | 51.754 - 1.770 |
Rwork | 0.189 |
R-free | 0.21980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dle |
RMSD bond length | 0.011 |
RMSD bond angle | 1.599 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238 2018/15/10) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.754 | 1.830 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmeas | 0.052 | 0.330 |
Number of reflections | 63253 | 6010 |
<I/σ(I)> | 16.56 | 4.25 |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.5 M ammonium sulfate, 0.1 mM sodium acetate (pH 4.6), 2 mM inhibitor |