Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-01 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000031 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 125.479, 125.479, 124.655 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.360 - 2.750 |
Rwork | 0.263 |
R-free | 0.28380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pe2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.376 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.360 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Rpim | 0.045 | 0.316 |
Number of reflections | 26481 | 3806 |
<I/σ(I)> | 10.5 | |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 9.6 | |
CC(1/2) | 0.998 | 0.923 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES pH 6.5 0.2 ammonia sulphate 30% PEG 5000 MME 10 mg/mL protein |