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 |