7LUU
Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active Site Glutamic Acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-07-16 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95372 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 62.640, 75.420, 56.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.190 - 1.680 |
R-factor | 0.1433 |
Rwork | 0.141 |
R-free | 0.16970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vpe |
RMSD bond length | 0.020 |
RMSD bond angle | 1.549 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.190 | 1.710 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.069 | 0.669 |
Rmeas | 0.072 | 0.697 |
Rpim | 0.020 | 0.190 |
Number of reflections | 31438 | 1534 |
<I/σ(I)> | 20.1 | 2.8 |
Completeness [%] | 99.9 | 97.2 |
Redundancy | 13.4 | 12.8 |
CC(1/2) | 1.000 | 0.902 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298.15 | in 0.2 M LiSO4, 0.1 M Tris, pH 8.5, and 1.26 M NH4SO4 |