6WIP
Class A beta-lactamase from Micromonospora aurantiaca ATCC 27029
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-05 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.115, 71.953, 100.684 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.250 - 1.400 |
R-factor | 0.1409 |
Rwork | 0.140 |
R-free | 0.16320 |
Structure solution method | SAD |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
Rmerge | 0.079 | 0.037 | 0.531 |
Rmeas | 0.087 | 0.041 | 0.591 |
Rpim | 0.034 | 0.016 | 0.253 |
Total number of observations | 378050 | ||
Number of reflections | 61376 | 3367 | 2873 |
<I/σ(I)> | 6.5 | ||
Completeness [%] | 97.9 | 99.1 | 92.4 |
Redundancy | 6.2 | 6.2 | 4.9 |
CC(1/2) | 0.998 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2M Ammonium sulfate, 0.1M MES, 30% PEG5000 MME |