2IG9
Structure of a full-length Homoprotocatechuate 2,3-Dioxygenase from B. fuscum in a new spacegroup.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-24 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.23983 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 110.445, 152.802, 99.714 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.080 - 1.900 |
| R-factor | 0.18976 |
| Rwork | 0.187 |
| R-free | 0.23443 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f1x |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.455 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CCP4 ((MOLREP)) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.150 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.099 | 0.532 |
| Number of reflections | 132886 | |
| <I/σ(I)> | 7.1 | 2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.18 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 18% PEG8000, 0.2 M calcium acetate, 0.1 M sodium cacodylate. Prior to freezing in liquid nitrogen, crystals were sequentially transferred into mother liquor solutions containing 5, 10, 15, and then 20% glycerol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
