4QTC
Structure of human haspin (GSG2) in complex with SCH772984 revealing the first type-I binding mode
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-24 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.890, 78.360, 81.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.190 - 1.400 |
R-factor | 0.14991 |
Rwork | 0.149 |
R-free | 0.16420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dlz |
RMSD bond length | 0.016 |
RMSD bond angle | 1.610 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.240 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.044 | 0.693 |
Number of reflections | 98923 | |
<I/σ(I)> | 17.9 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.1 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 51% MPD and 0.1 M SPG pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |