5M51
Nek2 bound to arylaminopurine compound 8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.717, 73.736, 75.076 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.607 - 1.899 |
R-factor | 0.2237 |
Rwork | 0.222 |
R-free | 0.25670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w5a |
RMSD bond length | 0.008 |
RMSD bond angle | 1.057 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.700 | 2.000 |
High resolution limit [Å] | 1.899 | 1.899 |
Rmerge | 0.075 | 0.346 |
Number of reflections | 25458 | |
<I/σ(I)> | 15.8 | 3.2 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 4.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 3 % PEG 8000, 50 mM Tris pH 8.5 |