7F18
Crystal Structure of a mutant of acid phosphatase from Pseudomonas aeruginosa (Q57H/W58P/D135R)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-02 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.542 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 69.822, 119.587, 190.059 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.630 - 3.300 |
R-factor | 0.1948 |
Rwork | 0.191 |
R-free | 0.27410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7f17 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.888 |
Data reduction software | HKL-2000 |
Data scaling software | SAINT (V8.38A) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.630 | 3.520 |
High resolution limit [Å] | 3.189 | 3.260 |
Number of reflections | 13485 | 855 |
<I/σ(I)> | 9.9 | |
Completeness [%] | 99.1 | |
Redundancy | 4.92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 288.15 | 0.1M BIS-TRIS pH 6.5, 50% v/v Polypropylene glycol P 400 |