2Y4O
Crystal Structure of PaaK2 in complex with phenylacetyl adenylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.150, 81.970, 80.890 |
| Unit cell angles | 90.00, 97.27, 90.00 |
Refinement procedure
| Resolution | 40.990 - 1.900 |
| R-factor | 0.16807 |
| Rwork | 0.166 |
| R-free | 0.21404 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y4n |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.962 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.330 |
| Number of reflections | 69914 | |
| <I/σ(I)> | 9.2 | 3.1 |
| Completeness [%] | 96.0 | 92.9 |
| Redundancy | 4.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | PROTEIN INCUBATED IN 3 MM MGCL2, ATP, AND 5 MM PHENYLACETIC ACID FOR 1 HR AND CRYSTALLIZED IN 17% (W/V) PEG 6000, 0.1 M HEPES PH 7.5, 0.1 M KCL AND 2.5% GLYCEROL. |
