8JK3
Crystal Structure of Bel-1 Extended Spectrum Beta-lactamase in Hexagonal Form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-01 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 121.192, 121.192, 72.128 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.126 - 1.500 |
Rwork | 0.150 |
R-free | 0.20880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 2.009 |
Data reduction software | CrysalisPro |
Data scaling software | CrysalisPro |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.126 | 8.220 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 96340 | 8448 |
<I/σ(I)> | 18.4 | |
Completeness [%] | 99.9 | |
Redundancy | 7.6 | |
CC(1/2) | 0.990 | 0.418 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2M Magnesium chloride hexahydrate, 0.1M HEPES sodium pH 7.5, 30% v/v 2-Propanol |