6PWM
ADC-7 in complex with Beta-lactam antibiotic ceftazidime
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.261, 81.661, 105.220 |
| Unit cell angles | 90.00, 112.61, 90.00 |
Refinement procedure
| Resolution | 85.320 - 2.400 |
| R-factor | 0.2155 |
| Rwork | 0.213 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4u0t |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.326 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.135 | 2.408 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.073 | 0.663 |
| Number of reflections | 55876 | 545 |
| <I/σ(I)> | 11.7 | 2.1 |
| Completeness [%] | 98.7 | 98.7 |
| Redundancy | 3.7 | 3.88 |
| CC(1/2) | 0.998 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | ADC-7 (3.5mg/mL) in 25% w/v polyethylene glycol (PEG) 1500, 0.1 M succinate/ phosphate/ glycine |
