6BH8
Crystal structure of ZMPSTE24 in complex with phosphoramidon
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.329, 84.661, 132.017 |
Unit cell angles | 90.00, 96.26, 90.00 |
Refinement procedure
Resolution | 47.028 - 3.850 |
R-factor | 0.3409 |
Rwork | 0.338 |
R-free | 0.37130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5syt |
RMSD bond length | 0.013 |
RMSD bond angle | 1.154 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.030 | 3.990 |
High resolution limit [Å] | 3.850 | 3.850 |
Rmerge | 0.510 | 2.291 |
Rmeas | 0.613 | 2.729 |
Rpim | 0.335 | 1.468 |
Number of reflections | 19383 | 187 |
<I/σ(I)> | 2.21 | 0.54 |
Completeness [%] | 97.8 | 97.38 |
Redundancy | 3.2 | 3.3 |
CC(1/2) | 0.761 | 0.326 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Glycerol, Ammonium Sulfate, PEG 3350, Hepes/NaOH pH 7.5 |