7L8O
OXA-48 bound by Compound 4.3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-12-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.999909 |
Spacegroup name | P 65 |
Unit cell lengths | 122.039, 122.039, 160.787 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.600 - 2.700 |
R-factor | 0.1706 |
Rwork | 0.168 |
R-free | 0.21050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hbr |
RMSD bond length | 0.006 |
RMSD bond angle | 0.738 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.600 | 2.798 |
High resolution limit [Å] | 2.700 | 2.702 |
Rmerge | 0.134 | 0.656 |
Number of reflections | 37105 | 3638 |
<I/σ(I)> | 19.3 | 3.8 |
Completeness [%] | 99.7 | 98.03 |
Redundancy | 11.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.1 M TRIS 8.5 pH, 25 %v/v PEG 550 MME |