6NHU
Crystal Structure of the Beta Lactamase Class D YbxI from Agrobacterium fabrum
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 | 2018-10-19 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.879, 165.957, 75.428 |
Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
Resolution | 44.608 - 2.300 |
R-factor | 0.1888 |
Rwork | 0.187 |
R-free | 0.22270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDBID 4GN2 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.573 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.160 | 0.706 |
Number of reflections | 54045 | 2266 |
<I/σ(I)> | 14 | 1.3 |
Completeness [%] | 97.3 | 83.2 |
Redundancy | 4.4 | 3.2 |
CC(1/2) | 0.956 | 0.597 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 289 | 0.04 M potassium phosphate, 16 %(w/v) PEG8000, 20 % glycerol |