9FLB
Crystal structure of haspin (GSG2) in complex with MU1464
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00004 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.750, 79.064, 80.142 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.630 - 2.500 |
R-factor | 0.19523 |
Rwork | 0.193 |
R-free | 0.24487 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.177 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.630 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.077 | 1.017 |
Rmeas | 0.085 | 1.093 |
Rpim | 0.033 | 0.436 |
Number of reflections | 17626 | 1706 |
<I/σ(I)> | 11.7 | 1.7 |
Completeness [%] | 99.7 | |
Redundancy | 6.2 | 6.2 |
CC(1/2) | 0.998 | 0.699 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 57% MPD, 0.1M MMT 6.0 |