4NET
Crystal structure of ADC-1 beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-16 |
| Detector | RAYONIX MX-325 |
| Wavelength(s) | 0.98093 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.073, 182.151, 50.373 |
| Unit cell angles | 90.00, 98.80, 90.00 |
Refinement procedure
| Resolution | 38.500 - 1.200 |
| R-factor | 0.1571 |
| Rwork | 0.156 |
| R-free | 0.18520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.092 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.500 | 1.250 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.049 | 0.647 |
| Number of reflections | 227477 | |
| <I/σ(I)> | 15.1 | 2.2 |
| Completeness [%] | 95.9 | 91.6 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 288 | unbuffered 0.2 M lithium nitrate, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
