Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-13 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 55.542, 28.683, 62.473 |
Unit cell angles | 90.00, 98.47, 90.00 |
Refinement procedure
Resolution | 44.430 - 1.200 |
Rwork | 0.139 |
R-free | 0.17400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yxf |
RMSD bond length | 0.018 |
RMSD bond angle | 2.139 |
Data reduction software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.430 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rpim | 0.037 | 0.219 |
Number of reflections | 30235 | 1458 |
<I/σ(I)> | 10.7 | 2.9 |
Completeness [%] | 98.4 | 98.4 |
Redundancy | 2.6 | 2.6 |
CC(1/2) | 0.997 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 100 nL mother liquor / 200 nL protein 15% Glycerol, 0.1 M NaAcetate pH 4.5-5.5, 28-32%PEG 4000, 0.2 M NH4Acetate |