6AFZ
Proton pyrophosphatase-E225H mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-19 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 215.605, 88.023, 158.194 |
Unit cell angles | 90.00, 124.99, 90.00 |
Refinement procedure
Resolution | 25.700 - 2.483 |
R-factor | 0.2021 |
Rwork | 0.201 |
R-free | 0.23480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a01 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.144 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.570 |
High resolution limit [Å] | 2.480 | 5.330 | 2.480 |
Rmerge | 0.094 | 0.030 | 0.973 |
Rmeas | 0.108 | 0.035 | 1.129 |
Rpim | 0.052 | 0.017 | 0.565 |
Number of reflections | 83058 | 8570 | 7084 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 97.4 | 98.2 | 83.4 |
Redundancy | 4.1 | 4.1 | 3.5 |
CC(1/2) | 0.999 | 0.616 |
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 |