7CS5
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 | 244.953, 244.953, 75.744 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.499 - 2.190 |
R-factor | 0.183399397133 |
Rwork | 0.183 |
R-free | 0.22020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qyd |
RMSD bond length | 0.014 |
RMSD bond angle | 1.875 |
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] | 39.500 | 2.270 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.104 | 0.694 |
Number of reflections | 133274 | 13177 |
<I/σ(I)> | 26 | |
Completeness [%] | 100.0 | |
Redundancy | 9.9 |
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 |