7E1H
crystal structure of RD-BEF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 65 |
| Unit cell lengths | 130.858, 130.858, 271.355 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.467 - 2.805 |
| R-factor | 0.2273 |
| Rwork | 0.226 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kfc |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 6.020 | 2.800 |
| Rmerge | 0.174 | 0.065 | 0.904 |
| Rmeas | 0.193 | 0.072 | 0.818 |
| Rpim | 0.083 | 0.031 | 0.442 |
| Number of reflections | 99444 | 6468 | 6377 |
| <I/σ(I)> | 3.7 | ||
| Completeness [%] | 99.9 | 99.7 | 100 |
| Redundancy | 5.2 | 5.1 | 5.1 |
| CC(1/2) | 0.997 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M CH3COONa 3H2O pH 4.5, and 25% PEG3350 |
