8HUB
AMP deaminase 2 in complex with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-31 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 124.516, 162.533, 289.758 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 98.840 - 3.250 |
R-factor | 0.2589 |
Rwork | 0.258 |
R-free | 0.27580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8hu6 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.439 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 98.840 | 3.330 |
High resolution limit [Å] | 3.240 | 3.240 |
Rmerge | 0.080 | 0.480 |
Rmeas | 0.087 | 0.516 |
Rpim | 0.032 | 0.187 |
Number of reflections | 46752 | 3407 |
<I/σ(I)> | 17.9 | 4.1 |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 7.4 | 7.6 |
CC(1/2) | 0.999 | 0.925 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 295.15 | 85 mM MES ph 5.9, 20% PEG8000, 170 mM ammonium sulfate, 15% glycerol, 10mM compound |