7RLR
Crystal Structure of K83A Mutant of Class D beta-lactamase from Clostridium difficile 630
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-02-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.534, 93.621, 138.067 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.710 - 1.880 |
R-factor | 0.1699 |
Rwork | 0.168 |
R-free | 0.19780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ue2 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.261 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.910 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.068 | 0.790 |
Rmeas | 0.074 | 0.853 |
Rpim | 0.028 | 0.321 |
Number of reflections | 90491 | 4507 |
<I/σ(I)> | 26.7 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.9 | 7 |
CC(1/2) | 0.779 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | Protein: 7.5 mg/ml, 0.01M Tris pH 8.3, 5mM DDT; Screen: PEGSs II (D1), 0.1M Sodium acetate, 0.1M HEPES pH 7.5, 22% (w/v) PEG 4000 |