6DUN
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 | 2015-10-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.270, 36.210, 51.590 |
Unit cell angles | 90.00, 100.75, 90.00 |
Refinement procedure
Resolution | 50.685 - 1.590 |
R-factor | 0.1545 |
Rwork | 0.152 |
R-free | 0.19870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pin |
RMSD bond length | 0.006 |
RMSD bond angle | 0.768 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.685 | 50.680 | 1.630 |
High resolution limit [Å] | 1.590 | 7.110 | 1.590 |
Rmerge | 0.081 | 0.034 | 1.025 |
Number of reflections | 28643 | ||
<I/σ(I)> | 8.93 | ||
Completeness [%] | 98.9 | 97.5 | 98.7 |
Redundancy | 3 | 2.8 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 2 M ammonium citrate, pH 6.5 |