6AFT
Proton pyrophosphatase - E301Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-06 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 217.126, 88.268, 158.660 |
| Unit cell angles | 90.00, 125.25, 90.00 |
Refinement procedure
| Resolution | 29.789 - 2.492 |
| R-factor | 0.1768 |
| Rwork | 0.176 |
| R-free | 0.20820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a01 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.043 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.492 | 2.500 |
| Rmerge | 0.075 | 0.267 |
| Rmeas | 0.076 | 0.765 |
| Rpim | 0.028 | 0.288 |
| Number of reflections | 81653 | 9952 |
| <I/σ(I)> | 16.3 | |
| Completeness [%] | 96.1 | 81.6 |
| Redundancy | 3.6 | 3.3 |
| CC(1/2) | 0.885 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM MES (pH 6.5), 250 mM MgCl2, 23% (w/v) PEG2KMME and 10% glycerol |
