8IX8
Crystal structure of Class A beta-lactamase BlaA WT - complex with Tebipenem
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-23 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.342, 72.182, 43.543 |
Unit cell angles | 90.00, 96.09, 90.00 |
Refinement procedure
Resolution | 24.597 - 1.500 |
Rwork | 0.167 |
R-free | 0.20130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.902 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.920 | 27.920 | 1.530 |
High resolution limit [Å] | 1.500 | 1.530 | 1.500 |
Rmerge | 0.104 | 0.047 | 1.003 |
Rmeas | 0.111 | 0.050 | 1.130 |
Rpim | 0.038 | 0.016 | 0.512 |
Number of reflections | 44966 | 284 | 2227 |
<I/σ(I)> | 14 | ||
Completeness [%] | 99.9 | ||
Redundancy | 13.7 | 14 | 9.2 |
CC(1/2) | 0.998 | 0.999 | 0.657 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M TRIS hydrochloride pH 8.5, 2.0 M Ammonium phosphate monobasic |