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 |