3ECJ
Structure of E323L mutant of Homoprotocatechuate 2,3-Dioxygenase from Brevibacterium fuscum at 1.65A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-17 |
Detector | SBC-3 |
Wavelength(s) | 0.97903 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 110.711, 163.403, 101.584 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.460 - 1.650 |
R-factor | 0.1707 |
Rwork | 0.169 |
R-free | 0.19429 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB id 2IG9 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.302 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.061 | 0.469 |
Number of reflections | 214697 | |
<I/σ(I)> | 18.734 | 1.647 |
Completeness [%] | 97.2 | 96.5 |
Redundancy | 4.4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 18% PEG8000, 0.1M Ca acetate, 0.1M Na cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |