3F2N
Crystal Structure of Human Haspin with an Imidazo-pyridazine ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-26 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9789 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.416, 77.307, 85.575 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.350 - 1.800 |
R-factor | 0.16235 |
Rwork | 0.161 |
R-free | 0.18553 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vuw |
RMSD bond length | 0.015 |
RMSD bond angle | 1.438 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0055) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.350 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.068 | 0.462 |
Number of reflections | 44444 | |
<I/σ(I)> | 11.8 | 2 |
Completeness [%] | 99.5 | 96.9 |
Redundancy | 3.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1M Na/KPO4, 20% PEG 3350, 10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |