6TH5
Crystal structure of mature wildtype primitive Phytochelatin synthase from Nostoc spec. - Alr0975
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-15 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.918410 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.356, 46.670, 68.583 |
Unit cell angles | 90.00, 92.26, 90.00 |
Refinement procedure
Resolution | 34.260 - 1.990 |
R-factor | 0.2013 |
Rwork | 0.199 |
R-free | 0.23830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2btw |
RMSD bond length | 0.005 |
RMSD bond angle | 0.554 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.260 | 2.061 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.115 | 0.665 |
Rmeas | 0.151 | 0.879 |
Rpim | 0.098 | 0.570 |
Number of reflections | 26211 | 4465 |
<I/σ(I)> | 6.59 | 1.29 |
Completeness [%] | 97.4 | 98.45 |
Redundancy | 2.2 | 1.9 |
CC(1/2) | 0.987 | 0.845 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 16% PEG 8000, 0.1 M MES pH 5.5, 0.2 M calcium acetate |