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 |
