8FQV
apo ADC-30 beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-17 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.154, 83.492, 205.332 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.850 - 1.480 |
| R-factor | 0.1734 |
| Rwork | 0.172 |
| R-free | 0.20620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4u0x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.051 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.19.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.343 | 1.580 |
| High resolution limit [Å] | 1.477 | 1.477 |
| Rmerge | 0.086 | |
| Number of reflections | 93283 | 4664 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 90.7 | 58.6 |
| Redundancy | 6.9 | 7 |
| CC(1/2) | 0.999 | 0.583 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | ADC-30 (3.5 mg/mL) in 25% w/v polyethylene glycol (PEG) 1500, 0.1 M succinate/ phosphate/ glycine |
