6BOI
Crystal Structure of LdtMt2 (56-408) with a panipenem adduct at the active site cysteine-354
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97741 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.060, 94.060, 75.400 |
| Unit cell angles | 90.00, 92.70, 90.00 |
Refinement procedure
| Resolution | 51.175 - 2.102 |
| R-factor | 0.1638 |
| Rwork | 0.162 |
| R-free | 0.20060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d7h |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.134 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 51.175 |
| High resolution limit [Å] | 2.102 |
| Number of reflections | 45570 |
| <I/σ(I)> | 30 |
| Completeness [%] | 91.9 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 300 | 17% v/v PEG mono-methyl ester 5000 and 180 mM ammonium sulfate, Crystals were soaked in 4 mM of panipenem for 15 minutes |
