4UAM
1.8 Angstrom crystal structure of IMP-1 metallo-beta-lactamase with a mixed iron-zinc center in the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Detector technology | CCD |
Collection date | 2013-03-14 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.283500 |
Spacegroup name | P 1 |
Unit cell lengths | 49.990, 75.910, 82.360 |
Unit cell angles | 83.45, 75.30, 74.01 |
Refinement procedure
Resolution | 44.927 - 1.800 |
R-factor | 0.1625 |
Rwork | 0.162 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2doo |
RMSD bond length | 0.006 |
RMSD bond angle | 0.962 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.930 | 1.850 | |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.055 | 0.019 | 0.481 |
Rmeas | 0.027 | 0.569 | |
Number of reflections | 1961 | 13902 | |
<I/σ(I)> | 18.08 | 42.02 | 2.9 |
Completeness [%] | 94.8 | 83.7 | 92.26 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | drop contained 1ul protein (25-30mg/ml in 20mm HEPES, 50mm NaCl, ph7.5) with 1uL microseed reservoir (0.2M sodium acetate, 0.2M sodium citrate, 26% PEGMME 2K). Protein solution was heat-treated at 310K for 3-5 days prior to filtration and crystallisation screening. microseeding was essential for diffraction quality crystal growth. crystal grew over 2 weeks |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | drop contained 1ul protein (25-30mg/ml in 20mm HEPES, 50mm NaCl, ph7.5) with 1uL microseed reservoir (0.2M sodium acetate, 0.2M sodium citrate, 26% PEGMME 2K). Protein solution was heat-treated at 310K for 3-5 days prior to filtration and crystallisation screening. microseeding was essential for diffraction quality crystal growth. crystal grew over 2 weeks |