8GTY
Crystal structure of exopolyphosphatase (PPX) from Zymomonas mobilis in complex with magnesium ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 122.023, 47.118, 89.480 |
Unit cell angles | 90.00, 124.45, 90.00 |
Refinement procedure
Resolution | 41.510 - 1.800 |
Rwork | 0.200 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hi0 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.840 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.119 | 0.515 |
Rmeas | 0.136 | 0.620 |
Rpim | 0.065 | 0.336 |
Number of reflections | 36563 | 2697 |
<I/σ(I)> | 8.7 | |
Completeness [%] | 92.7 | 67.4 |
Redundancy | 4 | 3.1 |
CC(1/2) | 0.645 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | 50 mM Tris pH 8.0, 500 mM NaCl, 5% glycerol 0.2 M magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, 25%(w/v) polyethylene glycol 3350 |