6I28
Crystal Structure of Cydia Pomonella PTP-2 phosphatase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 64.690, 66.720, 97.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.702 - 1.650 |
R-factor | 0.1872 |
Rwork | 0.185 |
R-free | 0.22390 |
Structure solution method | SAD |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.31) |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX (1.14) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.440 | 46.440 | 1.680 |
High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
Rmerge | 0.171 | 0.033 | 3.937 |
Rmeas | 0.178 | 0.034 | 4.085 |
Rpim | 0.047 | 0.010 | 1.082 |
Total number of observations | 365717 | ||
Number of reflections | 25886 | 191 | 1250 |
<I/σ(I)> | 11.2 | ||
Completeness [%] | 100.0 | 98.7 | 100 |
Redundancy | 14.1 | 10.5 | 14.2 |
CC(1/2) | 0.999 | 0.999 | 0.404 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | HEPES-NaOH pH 7.5, 200mM CaCl2, 14%-20% PEG 6000 |