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) |
