6IVY
Crystal structure of iron-bound HitA from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-03-05 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.577, 104.600, 58.758 |
| Unit cell angles | 90.00, 110.19, 90.00 |
Refinement procedure
| Resolution | 25.075 - 2.000 |
| R-factor | 0.177544416044 |
| Rwork | 0.175 |
| R-free | 0.22123 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3od7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.870 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.075 | 2.070 |
| High resolution limit [Å] | 1.900 | 2.000 |
| Rmerge | 0.099 | 0.400 |
| Rmeas | 0.110 | |
| Rpim | 0.047 | 0.293 |
| Number of reflections | 39097 | |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 99.0 | 97.5 |
| Redundancy | 5 | |
| CC(1/2) | 0.754 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | PEG 3350, sodium cacodylate, magnesium acetate |
