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 |