3I13
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 5.8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-06-02 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 53.111, 61.410, 69.483 |
Unit cell angles | 90.00, 93.06, 90.00 |
Refinement procedure
Resolution | 20.550 - 1.740 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 1.760 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.546 | 20.550 | 1.830 |
High resolution limit [Å] | 1.740 | 5.500 | 1.740 |
Rmerge | 0.050 | 0.024 | 0.401 |
Total number of observations | 1225 | 6319 | |
Number of reflections | 21061 | ||
<I/σ(I)> | 11.56 | 26.4 | 1.9 |
Completeness [%] | 92.0 | 78.5 | 90.1 |
Redundancy | 2.1 | 2.1 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 0.1 M Sodium cacodylate, 0.1 M Sodium tartrate, 18% PEG 3350, 1 mM ZnSO4, 1 mM DTT, pH 5.8, Vapor diffusion, hanging drop, temperature 293K |