7BWL
Structure of antibiotic sequester from Pseudomonas aerurinosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-12 |
Detector | ADSC QUANTUM 1 |
Wavelength(s) | 1.00004 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 53.338, 53.338, 134.639 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.250 |
R-factor | 0.22 |
Rwork | 0.218 |
R-free | 0.25770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wub |
RMSD bond length | 0.009 |
RMSD bond angle | 1.453 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.300 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.085 | 0.053 |
Rmeas | 0.089 | 0.056 |
Rpim | 0.026 | 0.018 |
Number of reflections | 15025 | 846 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 99.7 | 95.6 |
Redundancy | 11.7 | 9.6 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | in 0.2 M Sodium chloride, 0.1 M Na/K phosphate pH 6.2, and 40 % PEG 400 |