Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-04-25 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.01 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.409, 43.375, 58.715 |
Unit cell angles | 90.00, 111.97, 90.00 |
Refinement procedure
Resolution | 23.060 - 1.800 |
R-factor | 0.206 |
Rwork | 0.203 |
R-free | 0.23770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6C03 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.898 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.060 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.075 | 0.170 |
Rpim | 0.044 | 0.101 |
Number of reflections | 29209 | |
<I/σ(I)> | 10 | 3.9 |
Completeness [%] | 92.8 | 99.3 |
Redundancy | 2.5 | 2.6 |
CC(1/2) | 0.996 | 0.977 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M ammonium nitrate, 26% PEG 3500 |