4JHT
Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97950 |
Spacegroup name | P 1 |
Unit cell lengths | 36.839, 38.848, 40.450 |
Unit cell angles | 77.62, 75.01, 66.10 |
Refinement procedure
Resolution | 38.770 - 1.180 |
Rwork | 0.159 |
R-free | 0.16580 |
Structure solution method | Isomorphous Replacement |
Starting model (for MR) | PDB ID 3T4V |
RMSD bond length | 0.010 |
RMSD bond angle | 1.250 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.220 |
High resolution limit [Å] | 1.180 | 2.540 | 1.180 |
Rmerge | 0.080 | 0.083 | 0.333 |
Number of reflections | 60068 | ||
<I/σ(I)> | 17.3 | 18.7 | 3.8 |
Completeness [%] | 93.3 | 98.9 | 85.7 |
Redundancy | 4.1 | 6.5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 23% PEG 3350, 0.264M NaCl, 0.1M HEPES pH7.5, 1mM 8XQ, 1mM MnCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |