7CSE
AtPrR1 with NADP+ and (-)lariciresinol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-03-12 |
Detector | MAR555 FLAT PANEL |
Wavelength(s) | 0.9798 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 211.584, 129.486, 106.320 |
Unit cell angles | 90.00, 90.76, 90.00 |
Refinement procedure
Resolution | 47.750 - 2.440 |
R-factor | 0.183113307057 |
Rwork | 0.182 |
R-free | 0.22249 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qyd |
RMSD bond length | 0.009 |
RMSD bond angle | 1.398 |
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] | 47.752 | 2.530 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.124 | 1.082 |
Number of reflections | 106057 | 10355 |
<I/σ(I)> | 22.6 | |
Completeness [%] | 100.0 | |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.2 M sodium malonate, pH 6.0, 20% w/v PEG 3350 |