6IHI
Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 |
Unit cell lengths | 69.075, 69.075, 388.987 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.708 - 1.780 |
R-factor | 0.1854 |
Rwork | 0.185 |
R-free | 0.21430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bms |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.840 |
High resolution limit [Å] | 1.780 | 3.830 | 1.780 |
Rmerge | 0.074 | 0.041 | 0.764 |
Rmeas | 0.079 | 0.043 | 0.809 |
Rpim | 0.026 | 0.015 | 0.263 |
Total number of observations | 898880 | ||
Number of reflections | 99773 | 9948 | 9987 |
<I/σ(I)> | 9.3 | ||
Completeness [%] | 99.9 | 98.9 | 100 |
Redundancy | 9 | 8.3 | 9.3 |
CC(1/2) | 0.999 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | LiCl, Bicine, PEG6000 |