7C0T
Crystal structure of a dinucleotide-binding protein (N81A) 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 | 2019-02-12 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.610, 58.340, 123.480 |
Unit cell angles | 90.00, 95.04, 90.00 |
Refinement procedure
Resolution | 60.670 - 1.770 |
R-factor | 0.1825 |
Rwork | 0.181 |
R-free | 0.21860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7c0f |
RMSD bond length | 0.016 |
RMSD bond angle | 2.037 |
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] | 61.500 | 61.500 | 1.800 |
High resolution limit [Å] | 1.770 | 9.550 | 1.770 |
Rmerge | 0.081 | 0.060 | 0.227 |
Rmeas | 0.088 | 0.065 | 0.247 |
Rpim | 0.034 | 0.025 | 0.096 |
Total number of observations | 555264 | 4146 | 25246 |
Number of reflections | 87436 | 635 | 4080 |
<I/σ(I)> | 15.6 | 27.7 | 5.1 |
Completeness [%] | 95.2 | 98.9 | 88.1 |
Redundancy | 6.4 | 6.5 | 6.2 |
CC(1/2) | 0.996 | 0.996 | 0.962 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 277 | 0.2M ammonium phosphate, 0.1M sodium cacodylate pH 6.5, 30% PEG 8000 |