2Y27
crystal structure of PaaK1 in complex with ATP from Burkholderia cenocepacia
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 |
| Unit cell lengths | 56.710, 62.470, 78.490 |
| Unit cell angles | 90.97, 109.81, 106.51 |
Refinement procedure
| Resolution | 29.980 - 1.600 |
| R-factor | 0.16577 |
| Rwork | 0.164 |
| R-free | 0.19407 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.185 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXCDE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | 0.500 |
| Number of reflections | 121839 | |
| <I/σ(I)> | 8.6 | 2.2 |
| Completeness [%] | 95.8 | 94.1 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2% PEG 3350, 200 MM KSCN, 5% GLYCEROL. |
