4ZXD
Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD
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 | 2013-08-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.199, 114.012, 158.078 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.694 - 3.052 |
| R-factor | 0.2044 |
| Rwork | 0.202 |
| R-free | 0.25330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zxa |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.405 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
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 | 21998 | |
| <I/σ(I)> | 19.3 | 4.6 |
| Completeness [%] | 99.4 | 98.9 |
| Redundancy | 6.6 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 1.8 M Ammonium citrate dibasic, 0.1 M Sodium acetate pH 4.6 |
