3E7V
Crystal Structure of Human Haspin with a pyrazolo-pyrimidine ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-06-26 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.497, 86.952, 68.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.440 - 2.000 |
R-factor | 0.17017 |
Rwork | 0.168 |
R-free | 0.22462 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vuw |
RMSD bond length | 0.015 |
RMSD bond angle | 1.453 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.440 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.079 | 0.503 |
Number of reflections | 32235 | |
<I/σ(I)> | 10.2 | 2.1 |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1M PCB, 30% PEG 1K , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |