4NK3
Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-09 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.751, 72.127, 106.039 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.17582 |
| Rwork | 0.174 |
| R-free | 0.21319 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.245 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 27131 | |
| <I/σ(I)> | 8.3 | 1.9 |
| Completeness [%] | 97.1 | 94.7 |
| Redundancy | 9.1 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 18% PEG 3350, 10% isopropanol, 100 mM Imidazole, pH=6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
