4ZXC
Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Fe3+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.837, 181.743, 186.863 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.120 - 3.050 |
| R-factor | 0.191 |
| Rwork | 0.188 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zxa |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.240 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.160 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Number of reflections | 50659 | |
| <I/σ(I)> | 28.6 | 7.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.9 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium thiocyanate, 20% w/v PEG 3350 |
