6O33
Crystal Structure Analysis of PIN1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 49.010, 49.010, 137.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.655 - 1.740 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pin |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.660 | 34.660 | 1.770 |
High resolution limit [Å] | 1.740 | 4.720 | 1.740 |
Rmeas | 0.161 | 0.068 | 3.320 |
Rpim | 0.045 | 0.020 | 0.890 |
Total number of observations | 236222 | ||
Number of reflections | 18036 | 1051 | 864 |
<I/σ(I)> | 10.3 | 24.5 | 0.8 |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 13.1 | 11.3 | 13.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 100 mM HEPES, pH 7.2, 3.0 M ammonium sulfate |