3T07
Crystal structure of S. aureus Pyruvate Kinase in complex with a naturally occurring bis-indole alkaloid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 |
| Unit cell lengths | 83.960, 111.910, 112.030 |
| Unit cell angles | 86.05, 72.14, 80.88 |
Refinement procedure
| Resolution | 60.000 - 3.300 |
| R-factor | 0.1998 |
| Rwork | 0.198 |
| R-free | 0.22590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.413 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 110.470 | 48.616 | 3.480 |
| High resolution limit [Å] | 3.300 | 10.440 | 3.300 |
| Rmerge | 0.024 | 0.689 | |
| Total number of observations | 5422 | 22296 | |
| Number of reflections | 53839 | ||
| <I/σ(I)> | 10.2 | 22.8 | 1.1 |
| Completeness [%] | 93.4 | 93.2 | 90.1 |
| Redundancy | 3.1 | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SITTING DROP | 8.5 | 293 | 15-20% PEG3350, 0.4 M sodium malonate, 0.1 M bicine, pH 8.5, SITTING DROP, temperature 293K |
