6MT1
Crystal structure of Inorganic Pyrophosphatase from Medicago truncatula (R3 crystal form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | H 3 |
Unit cell lengths | 81.784, 81.784, 176.935 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.890 - 1.840 |
R-factor | 0.16547 |
Rwork | 0.164 |
R-free | 0.20108 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lug |
RMSD bond length | 0.013 |
RMSD bond angle | 1.519 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.045 | 0.870 |
Rmeas | 0.049 | 0.960 |
Number of reflections | 37764 | 5879 |
<I/σ(I)> | 17.22 | 1.7 |
Completeness [%] | 99.2 | 95.7 |
Redundancy | 5.6 | 5.4 |
CC(1/2) | 1.000 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 292 | 1.6% Tacsimate pH 5.0, 80 mM Na Citrate tribasic pH 5.6, 12.8% PEG 3350, 20% Glycerol Bromelain 5 ug/ml MtPPA1 7.7 mg/ml |