3MS5
Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)
Experimental procedure
Experimental method | SIRAS |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-24 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0084 |
Spacegroup name | H 3 2 |
Unit cell lengths | 107.366, 107.366, 205.054 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.450 - 1.820 |
R-factor | 0.14856 |
Rwork | 0.147 |
R-free | 0.18257 |
Structure solution method | SIRAS |
RMSD bond length | 0.019 |
RMSD bond angle | 1.600 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | REFMAC (5.6.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.690 | 1.920 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.083 | 0.452 |
Number of reflections | 40755 | |
<I/σ(I)> | 12.3 | 3.3 |
Completeness [%] | 99.4 | 96.2 |
Redundancy | 5.5 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2M Ammonium citrate, 20% PEG 3350, 6% diamine hexan, 10mM ZnSO4, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2M Ammonium citrate, 20% PEG 3350, 6% diamine hexan, 10mM ZnSO4, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |