8DC5
CCHFV GP38 Hoti/Kosovo
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-09-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 171.633, 75.322, 62.218 |
Unit cell angles | 90.00, 110.41, 90.00 |
Refinement procedure
Resolution | 29.160 - 3.210 |
R-factor | 0.2767 |
Rwork | 0.275 |
R-free | 0.30320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vkf |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.260 |
High resolution limit [Å] | 3.200 | 8.670 | 3.200 |
Rmerge | 0.113 | 0.091 | 0.680 |
Rmeas | 0.134 | 0.113 | 0.794 |
Rpim | 0.072 | 0.066 | 0.408 |
Total number of observations | 42451 | ||
Number of reflections | 11973 | 439 | 612 |
<I/σ(I)> | 17 | ||
Completeness [%] | 97.9 | 68.1 | 100 |
Redundancy | 3.5 | 2.9 | 3.8 |
CC(1/2) | 0.973 | 0.757 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 20% PEG3350, 0.4M NH4I |