6NPQ
Pseudomonas fluorescens isocyanide hydratase at 298 K XFEL data
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE MFX |
| Synchrotron site | SLAC LCLS |
| Beamline | MFX |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2018-11-12 |
| Detector | RAYONIX MX340-HS |
| Wavelength(s) | 1.3 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.879, 57.677, 68.778 |
| Unit cell angles | 90.00, 112.74, 90.00 |
Refinement procedure
| Resolution | 20.130 - 1.550 |
| R-factor | 0.1604 |
| Rwork | 0.160 |
| R-free | 0.18650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3non |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.776 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cctbx.prime |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.130 | 1.570 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 60075 | 2983 |
| <I/σ(I)> | 60.5 | |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 50.5 | 6.3 |
| CC(1/2) | 0.962 | 0.160 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 8.8 | 298 | 31% PEG 3350, 250 mM MgCl2, 125 mM Tris-HCl, 2 mM DTT |
