3QR0
Crystal Structure of S. officinalis PLC21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2009-11-02 |
Detector | Rayonix MarMosiac 225 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.815, 89.396, 163.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.360 - 2.000 |
R-factor | 0.17754 |
Rwork | 0.176 |
R-free | 0.20819 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB code 2ZKM |
RMSD bond length | 0.006 |
RMSD bond angle | 0.946 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
High resolution limit [Å] | 1.890 | 5.130 | 1.890 |
Rmerge | 0.069 | 0.032 | |
Number of reflections | 70063 | ||
<I/σ(I)> | 7.4 | ||
Completeness [%] | 97.7 | 98.6 | 97.5 |
Redundancy | 3.7 | 3.8 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277.15 | 100 mM Bis-Tris, 100 mM NaCl, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |