3QHY
Structural, thermodynamic and kinetic analysis of the picomolar binding affinity interaction of the beta-lactamase inhibitor protein-II (BLIP-II) with class A beta-lactamases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-10 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.766, 87.177, 61.020 |
| Unit cell angles | 90.00, 114.81, 90.00 |
Refinement procedure
| Resolution | 49.950 - 2.060 |
| R-factor | 0.172 |
| Rwork | 0.169 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jtd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Number of reflections | 37880 | |
| Completeness [%] | 98.4 | 91.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 298 | 0.1M Bicine, 13 % PEG 10,000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
