4Z6Q
Structure of H200N variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with HPCA at 1.57 Ang resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-12-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 110.507, 150.077, 95.936 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.690 - 1.570 |
| R-factor | 0.1425 |
| Rwork | 0.141 |
| R-free | 0.16530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ojt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.469 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.691 | 45.691 | 1.650 |
| High resolution limit [Å] | 1.570 | 4.960 | 1.570 |
| Rmerge | 0.025 | 0.799 | |
| Rmeas | 0.085 | ||
| Rpim | 0.038 | 0.013 | 0.408 |
| Total number of observations | 985392 | 31403 | 142829 |
| Number of reflections | 217448 | ||
| <I/σ(I)> | 13.1 | 42.2 | 1.9 |
| Completeness [%] | 98.2 | 96.2 | 97.6 |
| Redundancy | 4.5 | 4.4 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 13% PEG6000, 0.1M calcium acetate, 0.1M MOPS |
