4U0X
Structure of ADC-7 beta-lactamase in complex with boronic acid inhibitor S02030
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 | 2013-03-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.272, 81.198, 106.327 |
| Unit cell angles | 90.00, 113.08, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.030 |
| R-factor | 0.18839 |
| Rwork | 0.185 |
| R-free | 0.24758 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.840 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 81.198 |
| High resolution limit [Å] | 2.030 |
| Number of reflections | 91079 |
| <I/σ(I)> | 3.29 |
| Completeness [%] | 100.0 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | PEG 1500, succinate, phosphate, glycine |
