7CS4
IiPLR1 with NADP+ and (+)pinoresinol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9798 |
Spacegroup name | P 61 |
Unit cell lengths | 244.924, 244.924, 75.772 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.661 - 2.305 |
R-factor | 0.202729464793 |
Rwork | 0.202 |
R-free | 0.23139 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qyd |
RMSD bond length | 0.010 |
RMSD bond angle | 1.258 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.670 | 2.390 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.161 | 1.516 |
Number of reflections | 111977 | 10853 |
<I/σ(I)> | 20.1 | |
Completeness [%] | 97.8 | |
Redundancy | 8.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 0.2M sodium citrate tribasic, 0.1 M sodium citrate/citric acid, pH 4.0, 20% PEG 3350 |