3I0V
Bacillus cereus metallo-beta-lactamase: apo form
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 | 2007-07-09 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 53.039, 61.627, 69.528 |
Unit cell angles | 90.00, 92.98, 90.00 |
Refinement procedure
Resolution | 17.090 - 1.600 |
R-factor | 0.163 |
Rwork | 0.161 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 1.852 |
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] | 17.359 | 17.890 | 1.690 |
High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
Rmerge | 0.037 | 0.023 | 0.364 |
Total number of observations | 1573 | 8763 | |
Number of reflections | 27504 | ||
<I/σ(I)> | 12.627 | 23.4 | 2.1 |
Completeness [%] | 93.3 | 74 | 91.3 |
Redundancy | 2.2 | 2.2 | 2.2 |
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. Soak at pH 5 to remove Zn(II), Vapor diffusion, hanging drop, temperature 293K |