Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.152, 41.364, 71.933 |
Unit cell angles | 90.00, 103.83, 90.00 |
Refinement procedure
Resolution | 29.094 - 1.500 |
R-factor | 0.1623 |
Rwork | 0.161 |
R-free | 0.18420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.316 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10pre_2097) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmerge | 0.058 | 0.046 | 0.347 |
Rmeas | 0.063 | 0.049 | 0.401 |
Rpim | 0.023 | 0.018 | 0.197 |
Number of reflections | 65546 | 2032 | 1555 |
<I/σ(I)> | 11.9 | ||
Completeness [%] | 97.6 | 99.6 | 80.3 |
Redundancy | 6.8 | 7.2 | 3.9 |
CC(1/2) | 0.998 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6 M Na-Citrate, 50 mM Tris, pH 7.8 |