6R40
Apo structure of R504C mutant of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.530, 83.830, 89.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.240 - 2.200 |
R-factor | 0.24365 |
Rwork | 0.240 |
R-free | 0.30797 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oc2 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.564 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.240 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmeas | 0.150 | |
Number of reflections | 25878 | 1072 |
<I/σ(I)> | 13.1 | |
Completeness [%] | 100.0 | |
Redundancy | 11.8 | |
CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% (w/v) polyethylene glycol 3 350, 0.1 M Bis-Tris propane pH 7.8 and 1% (w/v) protamine sulphate |