6LXX
Frog EPDR1 with an Ir atom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1054 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 62.008, 62.008, 233.409 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.260 - 2.400 |
R-factor | 0.23629 |
Rwork | 0.233 |
R-free | 0.29333 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jl9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.659 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.700 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.078 | 0.363 |
Number of reflections | 11076 | 535 |
<I/σ(I)> | 79.3 | 17.7 |
Completeness [%] | 98.3 | |
Redundancy | 18.2 | |
CC(1/2) | 0.997 | 0.991 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2M Calcium acetate hydrate, 0.1M Sodium cacodylate trihydrate pH 6.5, 10-25% w/v Polyethylene glycol 8000 |