7C0W
Crystal structure of a dinucleotide-binding protein (Y224A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II)
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 | 2019-04-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.960, 58.060, 103.080 |
Unit cell angles | 90.00, 93.25, 90.00 |
Refinement procedure
Resolution | 54.150 - 2.100 |
R-factor | 0.2032 |
Rwork | 0.201 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7c0f |
RMSD bond length | 0.012 |
RMSD bond angle | 1.781 |
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] | 58.060 | 58.060 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.157 | 0.105 | 0.471 |
Rmeas | 0.181 | 0.122 | 0.541 |
Rpim | 0.089 | 0.062 | 0.264 |
Total number of observations | 183894 | 2494 | 14618 |
Number of reflections | 45231 | 655 | 3648 |
<I/σ(I)> | 6.9 | 12.5 | 3.2 |
Completeness [%] | 99.0 | 99.7 | 97.6 |
Redundancy | 4.1 | 3.8 | 4 |
CC(1/2) | 0.983 | 0.982 | 0.797 |
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 |