5C5V
Recombinant Inorganic Pyrophosphatase from T brucei brucei
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-25 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.953 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 104.210, 104.210, 215.513 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.830 - 2.350 |
R-factor | 0.2006 |
Rwork | 0.199 |
R-free | 0.23820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.061 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
Rmerge | 0.070 | 0.035 | 0.658 |
Rmeas | 0.074 | 0.037 | 0.690 |
Rpim | 0.022 | 0.011 | 0.203 |
Total number of observations | 547845 | ||
Number of reflections | 50422 | ||
<I/σ(I)> | 9.6 | ||
Completeness [%] | 99.9 | 98 | 100 |
Redundancy | 10.9 | 9.8 | 11 |
CC(1/2) | 0.999 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Single Cuboid shaped crystal 9 % PEG 8000, 18 % ethylene glycol, 0.02 M halide, 0.1 M bicine/trizma pH 8.0 and 0. 1 M spermine tetrahydrochloride |