7YXV
Crystal structure of a tautomerase superfamily member form Acinetobacter baumanii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-08-11 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | H 3 |
Unit cell lengths | 59.185, 59.185, 97.757 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.390 - 1.700 |
R-factor | 0.1394 |
Rwork | 0.137 |
R-free | 0.18630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lkb |
RMSD bond length | 0.021 |
RMSD bond angle | 1.969 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.394 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.044 | |
Rmeas | 0.051 | |
Rpim | 0.023 | |
Number of reflections | 13698 | 658 |
<I/σ(I)> | 4.1 | |
Completeness [%] | 97.3 | 87 |
Redundancy | 7 | |
CC(1/2) | 0.999 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 296 | 1 ul protein (20 mM HEPES-NaOH pH 6.8, 150 mM NaCl) mixed with 1 ul of reservoir solution (0.2 M NH4NO3 and 20% w/v PEG3350) |