5LMA
HUMAN SPLEEN TYROSINE KINASE KINASE DOMAIN IN COMPLEX WITH AZANAPHTHYRIDINE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.175, 87.454, 39.851 |
Unit cell angles | 90.00, 99.64, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.430 |
R-factor | 0.1573 |
Rwork | 0.156 |
R-free | 0.18300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | In-house coordinates |
RMSD bond length | 0.006 |
RMSD bond angle | 1.188 |
Data scaling software | Aimless (0.5.12) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.730 | 43.730 | 1.510 |
High resolution limit [Å] | 1.430 | 4.520 | 1.430 |
Rmerge | 0.032 | 0.028 | 0.107 |
Number of reflections | 46803 | ||
<I/σ(I)> | 20.4 | 39.3 | 5.7 |
Completeness [%] | 96.0 | 98.2 | 85.9 |
Redundancy | 3.1 | 3.2 | 2.1 |
CC(1/2) | 0.999 | 0.998 | 0.978 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG3350, Sodium formate. |