4W5J
New structural conformations of adenylate kinase from Streptococcus pneumoniae D39 with Ap5A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-13 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.908, 62.298, 63.022 |
| Unit cell angles | 101.89, 112.59, 89.86 |
Refinement procedure
| Resolution | 46.990 - 1.650 |
| R-factor | 0.258 |
| Rwork | 0.257 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nu0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.146 |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.990 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.057 | 0.440 |
| Number of reflections | 85180 | |
| <I/σ(I)> | 39.02 | 4.43 |
| Completeness [%] | 95.9 | 94.5 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 0.1 Sodium acetate, 0.1M Sodium acetate pH 4.6, 30%(v/v) PEG 8000 |
