4WD6
Crystal Structure of DIM-1 metallo-beta-lactamase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.719, 47.856, 185.216 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.550 - 2.200 |
R-factor | 0.20989 |
Rwork | 0.207 |
R-free | 0.27397 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ddk |
RMSD bond length | 0.014 |
RMSD bond angle | 1.617 |
Data reduction software | HKL-2000 |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.051 | 0.251 |
Number of reflections | 21133 | |
<I/σ(I)> | 32.5 | 6.6 |
Completeness [%] | 94.5 | 68.4 |
Redundancy | 7.1 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% polyethylene glycol (PEG) 550 monomethyl ether (MME), 10% PEG 20000, 50 mM HEPES / 50 mM MOPS pH 7.5 |