8R42
Structure of CHI3L1 in complex with inhibititor 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 109.480, 121.890, 136.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.900 - 2.320 |
R-factor | 0.207 |
Rwork | 0.205 |
R-free | 0.25030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.727 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.900 | 2.460 |
High resolution limit [Å] | 2.320 | 2.320 |
Number of reflections | 39830 | 6310 |
<I/σ(I)> | 17.6 | |
Completeness [%] | 99.9 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.525 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 17% (v/w) PEG 4000, 0.1 M sodium citrate pH 4.6, 0.2 M ammonium sulfate and 0.1 M DTT |