2IUW
Crystal structure of human ABH3 in complex with iron ion and 2- oxoglutarate
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-12 |
Detector | ADSC CCD |
Spacegroup name | I 41 |
Unit cell lengths | 119.955, 119.955, 40.554 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 1.500 |
R-factor | 0.1406 |
R-free | 0.19120 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 0.029 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.100 | 0.470 |
Number of reflections | 46030 | |
<I/σ(I)> | 43.4 | 4.5 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 7.2 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 0.1 M BIS-TRIS PH 5.5, 0.1 M (NH4)2SO4, 4-9 % PEG 8000/10000 |