6F0Q
Crystal structure of Pizza6-AYW
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-21 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.010, 70.350, 58.210 |
Unit cell angles | 90.00, 100.60, 90.00 |
Refinement procedure
Resolution | 26.501 - 1.300 |
R-factor | 0.1571 |
Rwork | 0.155 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ww9 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.484 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.501 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.062 | 0.301 |
Rpim | 0.062 | 0.301 |
Number of reflections | 86627 | |
<I/σ(I)> | 8.2 | 2.8 |
Completeness [%] | 94.7 | 92.6 |
Redundancy | 3.2 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.1 M MIB (Mixtures of sodium malonate, imidazole, boric acid in the molar rations 2:3:3 buffer) or MMT (Mixtures of DL-malic acid, MES and Tris base in the molar rations 1:2:2 buffer) pH 5.0, 30% (w/v) PEG1500 |