5ZTE
Crystal structure of PrxA C119S mutant from Arabidopsis thaliana
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9788 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 124.212, 216.189, 98.449 |
Unit cell angles | 90.00, 101.47, 90.00 |
Refinement procedure
Resolution | 40.744 - 2.600 |
R-factor | 0.1985 |
Rwork | 0.196 |
R-free | 0.24390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qpm |
RMSD bond length | 0.006 |
RMSD bond angle | 0.814 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MoRDa |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
Rmerge | 0.127 | 0.051 | 0.972 |
Rmeas | 0.148 | 0.059 | 1.142 |
Rpim | 0.074 | 0.029 | 0.589 |
Number of reflections | 74467 | 7596 | 7281 |
<I/σ(I)> | 7.2 | ||
Completeness [%] | 95.9 | 96.6 | 94.1 |
Redundancy | 3.7 | 3.7 | 3.4 |
CC(1/2) | 0.998 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.24 M lithium sulfate, 0.1 M Tris-HCl pH 8.5, 26%(w/v) PEG 4000 |