5QAN
OXA-48 IN COMPLEX WITH COMPOUND 19a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.984 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.935, 125.236, 107.702 |
Unit cell angles | 90.00, 98.42, 90.00 |
Refinement procedure
Resolution | 43.340 - 2.300 |
Rwork | 0.188 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 5dtk |
RMSD bond length | 0.002 |
RMSD bond angle | 0.489 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.340 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.070 | 0.422 |
Rmeas | 0.090 | 0.550 |
Number of reflections | 9928 | |
<I/σ(I)> | 7.54 | 2.1 |
Completeness [%] | 93.3 | |
Redundancy | 2.2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES pH 7.5, 8-11% PEG 8000 and 4-8% 1-butanol |