4O1L
Human Adenosine Kinase in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91502 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.310, 156.590, 58.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 156.590 - 2.500 |
R-factor | 0.19962 |
Rwork | 0.196 |
R-free | 0.26280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.658 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 156.590 | 52.197 | 2.640 |
High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
Rmerge | 0.047 | 0.262 | |
Rpim | 0.027 | 0.154 | |
Total number of observations | 3287 | 14131 | |
Number of reflections | 22043 | ||
<I/σ(I)> | 10.9 | 18.4 | 4.5 |
Completeness [%] | 99.9 | 98.8 | 100 |
Redundancy | 4.7 | 4.2 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |