6C3C
PLP-dependent L-arginine hydroxylase RohP quinonoid I complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-19 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.150, 112.610, 101.610 |
| Unit cell angles | 90.00, 95.98, 90.00 |
Refinement procedure
| Resolution | 56.617 - 1.500 |
| R-factor | 0.1637 |
| Rwork | 0.162 |
| R-free | 0.18660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dj1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.881 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.25) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.620 | 56.620 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.094 | 0.055 | 0.788 |
| Rmeas | 0.103 | 0.059 | 0.870 |
| Rpim | 0.041 | 0.022 | 0.363 |
| Total number of observations | 6387 | 39646 | |
| Number of reflections | 141151 | 7003 | |
| <I/σ(I)> | 10.8 | 33.7 | 2.2 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 6.2 | 7.1 | 5.7 |
| CC(1/2) | 0.998 | 0.993 | 0.637 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2 M sodium malonate pH 7, 16-20% (w/v) PEG 3350 |
