8WHH
Crystal structure of Se-Met derivative CLASP2 in complex with CLIP170
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.115, 100.826, 226.065 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.427 - 3.801 |
R-factor | 0.2193 |
Rwork | 0.217 |
R-free | 0.26630 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.821 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.870 |
High resolution limit [Å] | 3.800 | 10.290 | 3.800 |
Rmerge | 0.128 | 0.054 | 1.212 |
Rmeas | 0.137 | 0.058 | 1.295 |
Rpim | 0.049 | 0.022 | 0.453 |
Total number of observations | 291365 | ||
Number of reflections | 37419 | 1889 | 1873 |
<I/σ(I)> | 3.1 | ||
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 7.8 | 7.6 | 8 |
CC(1/2) | 0.994 | 0.997 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M ammonium acetate, 0.1 M Tris pH 8.5, 25% w/v PEG 3,350 |