3L6N
Crystal structure of metallo-beta-lactamase IND-7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.599, 74.313, 47.374 |
| Unit cell angles | 90.00, 99.38, 90.00 |
Refinement procedure
| Resolution | 38.280 - 1.650 |
| R-factor | 0.17805 |
| Rwork | 0.177 |
| R-free | 0.20067 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m2x |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.087 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.043 | 0.104 |
| Number of reflections | 31928 | |
| <I/σ(I)> | 48.5 | 16.7 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 30%(w/v) PEG 4000, 0.1M Tris-HCl (pH8.5), 0.2M Lithium sulfate monohydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
