2QA2
Crystal structure of CabE, an aromatic hydroxylase from angucycline biosynthesis, determined to 2.7 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-24 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 133.100, 133.100, 166.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.830 - 2.700 |
R-factor | 0.23633 |
Rwork | 0.234 |
R-free | 0.27428 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qa1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.403 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.097 | 0.518 |
Number of reflections | 24379 | |
<I/σ(I)> | 16.22 | 4 |
Completeness [%] | 99.1 | 99.9 |
Redundancy | 6.8 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20 % PEG 3350, 0.1M bis-tris propane, 0.2M Na/K-phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |