8TTP
Crystal structure of class C beta-lactamase from Escherichia coli in complex with avibactam
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-04-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 155.614, 46.457, 109.126 |
Unit cell angles | 90.00, 116.58, 90.00 |
Refinement procedure
Resolution | 28.510 - 1.430 |
R-factor | 0.1611 |
Rwork | 0.160 |
R-free | 0.18890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.940 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.450 |
High resolution limit [Å] | 1.430 | 3.880 | 1.430 |
Rmerge | 0.059 | 0.038 | 0.736 |
Rmeas | 0.067 | 0.043 | 0.870 |
Rpim | 0.030 | 0.019 | 0.455 |
Total number of observations | 593927 | ||
Number of reflections | 127325 | 6662 | 5658 |
<I/σ(I)> | 9.7 | ||
Completeness [%] | 98.6 | 99.5 | 88.1 |
Redundancy | 4.7 | 4.8 | 3.1 |
CC(1/2) | 0.995 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1M HEPES pH7.5, 10% 2-Propanol, 20% Polyethylene glycol 4K |