5FEU
Noroxomaritidine/Norcraugsodine Reductase in complex with NADP+
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 | 2015-04-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 42 2 2 |
Unit cell lengths | 60.377, 60.377, 136.142 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.169 - 1.730 |
R-factor | 0.1801 |
Rwork | 0.179 |
R-free | 0.21060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ae2 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.032 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.200 | 1.790 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.521 | |
Number of reflections | 27021 | |
<I/σ(I)> | 22 | 2.4 |
Completeness [%] | 99.7 | 98.6 |
Redundancy | 13.6 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 20% PEG-8000 100 mM HEPES buffer (pH 7.5). |