6GJ9
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - REGENERATION COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | H 3 |
Unit cell lengths | 126.971, 126.971, 107.518 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.766 - 1.760 |
R-factor | 0.1463 |
Rwork | 0.144 |
R-free | 0.19550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6git |
RMSD bond length | 0.006 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.29) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.300 | 48.300 | 1.850 |
High resolution limit [Å] | 1.760 | 5.560 | 1.760 |
Rmerge | 0.146 | 0.062 | 0.578 |
Rmeas | 0.173 | 0.072 | 0.684 |
Rpim | 0.090 | 0.036 | 0.358 |
Number of reflections | 63514 | 1992 | 9265 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 99.0 | 97.9 | 98.7 |
Redundancy | 3.5 | 3.6 | 3.3 |
CC(1/2) | 0.985 | 0.993 | 0.693 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M SODIUM THIOCYANATE; 20% (W/V) PEG 3350 |