5DUJ
Crystal structure of ldtMt2 in complex with Faropenem adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-07 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.051, 93.929, 75.215 |
| Unit cell angles | 90.00, 92.72, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.170 |
| R-factor | 0.18307 |
| Rwork | 0.180 |
| R-free | 0.23386 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vyn |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.929 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.210 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.064 | 0.186 |
| Number of reflections | 42667 | |
| <I/σ(I)> | 20.86 | 4.19 |
| Completeness [%] | 94.6 | 59.7 |
| Redundancy | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20% 5000MME, 200mM ammonium sulfate |
