7U48
Clavulanic acid-CTX-M-15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2021-04-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 170.692, 50.976, 106.699 |
Unit cell angles | 90.00, 113.23, 90.00 |
Refinement procedure
Resolution | 49.020 - 1.670 |
R-factor | 0.2511 |
Rwork | 0.250 |
R-free | 0.28530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hbt |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.700 |
High resolution limit [Å] | 1.670 | 4.530 | 1.670 |
Rmerge | 0.154 | 0.104 | 1.224 |
Rmeas | 0.185 | 0.125 | 1.590 |
Rpim | 0.101 | 0.069 | 1.002 |
Total number of observations | 252076 | ||
Number of reflections | 83707 | 5145 | 829 |
<I/σ(I)> | 4.1 | ||
Completeness [%] | 84.7 | 99.9 | 16.9 |
Redundancy | 3 | 3.3 | 1.7 |
CC(1/2) | 0.969 | 0.253 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 300 mM Ammonium sulfate, 30% PEG 4000 |