7C0U
Crystal structure of a dinucleotide-binding protein (S127A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2019-04-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.990, 57.280, 121.599 |
Unit cell angles | 90.00, 94.93, 90.00 |
Refinement procedure
Resolution | 46.950 - 1.800 |
R-factor | 0.2283 |
Rwork | 0.226 |
R-free | 0.27430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7c0f |
RMSD bond length | 0.014 |
RMSD bond angle | 1.899 |
Data reduction software | MOSFLM (7.2.2) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.950 | 46.910 | 1.830 |
High resolution limit [Å] | 1.800 | 9.350 | 1.800 |
Rmerge | 0.118 | 0.070 | 0.522 |
Rmeas | 0.139 | 0.082 | 0.612 |
Rpim | 0.072 | 0.043 | 0.317 |
Total number of observations | 2303 | 14898 | |
Number of reflections | 82790 | 668 | 4301 |
<I/σ(I)> | 7 | 11.8 | 2.5 |
Completeness [%] | 97.1 | 99.3 | 92.6 |
Redundancy | 3.5 | 3.4 | 3.5 |
CC(1/2) | 0.985 | 0.980 | 0.728 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2M ammonium phosphate, 0.1M sodium cacodylate pH 6.5, 30% PEG 8000 |