6Q8J
Nterminal domain of human SMU1 in complex with LSP641
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 72.193, 72.193, 183.164 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.720 - 1.800 |
R-factor | 0.16359 |
Rwork | 0.161 |
R-free | 0.22007 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q8f |
RMSD bond length | 0.007 |
RMSD bond angle | 1.457 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 1.880 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.051 | 0.762 |
Number of reflections | 26383 | 3140 |
<I/σ(I)> | 16.86 | 2.2 |
Completeness [%] | 97.4 | 97.7 |
Redundancy | 5.27 | 5.32 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M Bis-Tris pH 6, 16-20 % PEG 10K, 0.2 M ammonium acetate |