2RGX
Crystal Structure of Adenylate Kinase from Aquifex Aeolicus in complex with Ap5A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 68.611, 68.611, 85.479 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.209 |
| Rwork | 0.205 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ake |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.830 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.092 | 0.546 |
| Number of reflections | 18796 | |
| <I/σ(I)> | 9 | |
| Completeness [%] | 99.6 | 97.9 |
| Redundancy | 4.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | 25%(v/v) PEG MME 550, 0.1 M MES pH 6.5, 0.01 M Zinc Sulfate, VAPOR DIFFUSION, temperature 298K |
