1WUP
Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81E)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL40B2 |
Synchrotron site | SPring-8 |
Beamline | BL40B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 |
Unit cell lengths | 49.213, 73.061, 80.890 |
Unit cell angles | 84.81, 76.10, 74.00 |
Refinement procedure
Resolution | 19.730 - 3.000 |
R-factor | 0.224 |
Rwork | 0.224 |
R-free | 0.29500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dd6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 3.080 |
High resolution limit [Å] | 2.970 | 2.970 |
Number of reflections | 19685 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | acetic-acetate, citrate, PEG4000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 297K |