5FFF
Noroxomaritidine/Norcraugsodine Reductase in complex with NADP+ and piperonal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 73.386, 73.386, 167.892 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.847 - 1.501 |
R-factor | 0.1508 |
Rwork | 0.150 |
R-free | 0.16570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5feu |
RMSD bond length | 0.006 |
RMSD bond angle | 0.969 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.850 | 1.550 |
High resolution limit [Å] | 1.501 | 1.500 |
Rmerge | 0.071 | |
Number of reflections | 84466 | |
<I/σ(I)> | 17.6 | 2.3 |
Completeness [%] | 99.9 | 98.7 |
Redundancy | 10.2 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 35% MPD, 100 mM sodium acetate (pH 4.5) |