7A63
Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97951 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 105.300, 105.300, 98.099 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.650 - 1.570 |
R-factor | 0.170409688506 |
Rwork | 0.169 |
R-free | 0.19282 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sml |
RMSD bond length | 0.009 |
RMSD bond angle | 1.071 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.650 | 1.600 |
High resolution limit [Å] | 1.570 | 1.570 |
Rpim | 0.012 | 0.552 |
Number of reflections | 45278 | 2194 |
<I/σ(I)> | 32.3 | |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 72.9 | |
CC(1/2) | 0.911 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM Hepes pH 7.75, 2.0 M ammonium sulphate, 1.5% PEG400. 2 ul protein (15 mg/ml) mixed with 2 ul reservoir. |