4KRC
Crystal Structure of Pho85-Pcl10-ATP-gamma-S Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97925 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.145, 65.378, 80.254 |
| Unit cell angles | 90.00, 100.61, 90.00 |
Refinement procedure
| Resolution | 39.441 - 2.597 |
| R-factor | 0.2074 |
| Rwork | 0.204 |
| R-free | 0.27040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.966 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.441 | 2.690 |
| High resolution limit [Å] | 2.597 | 2.600 |
| Rmerge | 0.410 | |
| Number of reflections | 15166 | |
| Completeness [%] | 95.3 | 73.4 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 298 | 22-25% Polyethylene glycol 5000 monomethyl ether (PEG 5K MME), 0.1 M 2-morpholinoethanesulfonic acid (MES), pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
