5FAS
OXA-48 in complex with FPI-1523
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-15 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.080, 75.800, 106.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.620 - 1.740 |
R-factor | 0.15765 |
Rwork | 0.157 |
R-free | 0.17837 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hbr |
RMSD bond length | 0.012 |
RMSD bond angle | 1.558 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 43.620 |
High resolution limit [Å] | 1.740 |
Number of reflections | 61458 |
<I/σ(I)> | 30.6 |
Completeness [%] | 99.9 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.005 M CoCl2, 0.005 M CdCl2, 0.005 M MgCl2, 0.005 M NiCl2, 0.1 M HEPES pH 7.5, 12% w/v PEG 3350 |