8YJO
Structure of E. coli glycyl radical enzyme PflD with bound malonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.296, 127.662, 89.751 |
| Unit cell angles | 90.00, 107.21, 90.00 |
Refinement procedure
| Resolution | 30.020 - 1.800 |
| R-factor | 0.1718 |
| Rwork | 0.170 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.876 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.020 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.098 | 0.744 |
| Rmeas | 0.116 | 0.984 |
| Rpim | 0.061 | 0.633 |
| Total number of observations | 541161 | 13620 |
| Number of reflections | 153436 | 5811 |
| <I/σ(I)> | 8.3 | 0.9 |
| Completeness [%] | 96.8 | |
| Redundancy | 3.5 | 2.3 |
| CC(1/2) | 0.996 | 0.472 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M TRIS pH 8.5, 1M ammonium sulfate |
