7LNO
Structure of apo-CDD-1 beta-lactamase in imidazole and MPD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 123.321, 123.321, 123.321 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.000 - 1.580 |
R-factor | 0.1603 |
Rwork | 0.159 |
R-free | 0.19000 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6edm |
RMSD bond length | 0.007 |
RMSD bond angle | 0.989 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.000 | 1.600 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmeas | 0.098 | |
Rpim | 0.015 | 0.304 |
Number of reflections | 44557 | 2038 |
<I/σ(I)> | 21.2 | 1.8 |
Completeness [%] | 99.6 | |
Redundancy | 42.6 | |
CC(1/2) | 1.000 | 0.841 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1 M HEPES, 2.4 M ammonium sulfate. Crystals transferred to 0.1 M imidazole pH 7.0, 85% 2-methyl-2,4-pentandiol (MPD) |