8R4X
Structure of Chitinase-3-like protein 1 in complex with inhibitor 30
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 109.180, 121.390, 134.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.030 - 1.540 |
R-factor | 0.17 |
Rwork | 0.170 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.424 |
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] | 50.000 | 1.630 |
High resolution limit [Å] | 1.540 | 1.540 |
Number of reflections | 259748 | 39317 |
<I/σ(I)> | 14.1 | |
Completeness [%] | 98.9 | |
Redundancy | 11.2 | |
CC(1/2) | 0.999 | 0.648 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG 4000, 0.1 M sodium citrate pH 4.6, 0.2 M ammonium sulfate and 0.1 M DTT, 0.01 M yttrium chloride hexahydrate |