6JNP
Structure of ExoT-SpcS Complex from Pseudomonas aeruginosa in 2.2 Angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER X8 PROTEUM |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-14 |
Detector | Bruker PHOTON III |
Wavelength(s) | 1.5 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.000, 63.000, 83.000 |
Unit cell angles | 90.00, 98.00, 90.00 |
Refinement procedure
Resolution | 34.793 - 2.261 |
R-factor | 0.2145 |
Rwork | 0.211 |
R-free | 0.25350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jmf |
RMSD bond length | 0.002 |
RMSD bond angle | 0.525 |
Data reduction software | PROTEUM PLUS |
Data scaling software | PROTEUM PLUS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 23043 | 1072 |
<I/σ(I)> | 7.6 | |
Completeness [%] | 90.3 | |
Redundancy | 2.7 | |
CC(1/2) | 0.991 | 0.957 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 295.1 | 25% PEG3350, 0.1 M Bis-Tris pH5.7-6.5 |