6AFV
Proton pyrophosphatase-L555K 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 | 221.347, 88.619, 160.955 |
Unit cell angles | 90.00, 126.05, 90.00 |
Refinement procedure
Resolution | 28.059 - 2.701 |
R-factor | 0.1979 |
Rwork | 0.197 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a01 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.139 |
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 | 2.800 |
High resolution limit [Å] | 2.700 | 5.800 | 2.700 |
Rmerge | 0.111 | 0.035 | 1.109 |
Rmeas | 0.128 | 0.041 | 1.283 |
Rpim | 0.063 | 0.020 | 0.639 |
Number of reflections | 68580 | 7012 | 6614 |
<I/σ(I)> | 8.7 | ||
Completeness [%] | 99.6 | 99.2 | 97.5 |
Redundancy | 4.1 | 4 | 3.8 |
CC(1/2) | 0.998 | 0.681 |
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 |