6IWF
Crystal structure of HitA from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-07-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.324, 105.195, 59.676 |
Unit cell angles | 90.00, 110.36, 90.00 |
Refinement procedure
Resolution | 41.406 - 1.707 |
R-factor | 0.19963654854 |
Rwork | 0.198 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ivy |
RMSD bond length | 0.006 |
RMSD bond angle | 0.788 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.410 | 1.768 |
High resolution limit [Å] | 1.700 | 1.707 |
Rmeas | 0.043 | 0.361 |
Rpim | 0.023 | 0.206 |
Number of reflections | 62932 | 6025 |
<I/σ(I)> | 17.3 | |
Completeness [%] | 97.7 | |
Redundancy | 3.4 | |
CC(1/2) | 0.980 | 0.028 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | PEG 3350, sodium-cacodylate, magnesium acetate |