Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 57.580, 57.580, 183.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.940 - 1.720 |
R-factor | 0.13601 |
Rwork | 0.134 |
R-free | 0.16788 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qcb |
RMSD bond length | 0.029 |
RMSD bond angle | 2.584 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.940 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.108 | |
Number of reflections | 16931 | |
<I/σ(I)> | 12 | |
Completeness [%] | 99.7 | |
Redundancy | 7.9 | |
CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 274 | 0.1 M sodium acetate, pH 4, 2.6 M ammonium sulfate |