6AFU
Proton pyrophosphatase-L555M 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 | 221.185, 88.393, 159.741 |
Unit cell angles | 90.00, 125.72, 90.00 |
Refinement procedure
Resolution | 26.065 - 2.798 |
R-factor | 0.1831 |
Rwork | 0.182 |
R-free | 0.22860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a01 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.158 |
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 | 2.900 |
High resolution limit [Å] | 2.798 | 6.020 | 2.800 |
Rmerge | 0.086 | 0.024 | 0.447 |
Rmeas | 0.099 | 0.028 | 0.515 |
Rpim | 0.049 | 0.014 | 0.255 |
Number of reflections | 61373 | 6204 | 5798 |
<I/σ(I)> | 9.8 | ||
Completeness [%] | 99.0 | 97.6 | 93.8 |
Redundancy | 4.2 | 4 | 3.9 |
CC(1/2) | 0.999 | 0.922 |
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 |