6GIZ
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - SUBSTRATE COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 |
| Unit cell lengths | 126.730, 126.730, 107.040 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.105 - 1.540 |
| R-factor | 0.1377 |
| Rwork | 0.136 |
| R-free | 0.16740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6git |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.896 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.110 | 48.110 | 1.580 |
| High resolution limit [Å] | 1.540 | 6.890 | 1.540 |
| Rmerge | 0.056 | 0.022 | 0.716 |
| Rmeas | 0.067 | 0.026 | 0.876 |
| Rpim | 0.036 | 0.014 | 0.500 |
| Total number of observations | 321250 | ||
| Number of reflections | 94714 | 1051 | 7021 |
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 99.8 | 99.1 | 99.7 |
| Redundancy | 3.4 | 3.4 | 3 |
| CC(1/2) | 0.999 | 0.999 | 0.554 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2M SODIUM THIOCYANATE; 20% (w/v) PEG 3350 |
