3BZA
Structure of Mn-substituted Homoprotocatechuate 2,3-Dioxygenase from B.fuscum at 1.7 Ang 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 | 2007-10-13 |
| Detector | SBC-3 |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 110.502, 152.191, 96.278 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.820 - 1.700 |
| R-factor | 0.17174 |
| Rwork | 0.170 |
| R-free | 0.19671 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ig9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.297 |
| 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] | 55.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.088 | 0.555 |
| Number of reflections | 167766 | |
| <I/σ(I)> | 15.308 | 2.258 |
| Completeness [%] | 99.3 | 98.4 |
| Redundancy | 4.7 | 3.8 |
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, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
