6AQB
Structure of the SH3 domain of MLK3 bound to peptide generated from phage display
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.078185 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 80.510, 45.740, 49.660 |
Unit cell angles | 90.00, 120.88, 90.00 |
Refinement procedure
Resolution | 42.620 - 1.500 |
R-factor | 0.18938 |
Rwork | 0.187 |
R-free | 0.22761 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.202 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.620 | 1.590 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 44942 | 6942 |
<I/σ(I)> | 9.94 | 1.63 |
Completeness [%] | 90.9 | 86.9 |
Redundancy | 1.8 | 1.83 |
CC(1/2) | 0.848 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M NaH2PO4 0.1 M KH2PO4 0.1 M MES pH 6.5 1.5 M NaCl |