5UPT
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP468 ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-09 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 146.158, 146.158, 71.138 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.200 - 1.920 |
| R-factor | 0.1658 |
| Rwork | 0.164 |
| R-free | 0.19550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e7q |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.650 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.950 |
| High resolution limit [Å] | 1.920 | 5.210 | 1.920 |
| Rmerge | 0.097 | 0.074 | 0.841 |
| Rmeas | 0.103 | 0.079 | 0.926 |
| Rpim | 0.033 | 0.026 | 0.377 |
| Total number of observations | 532202 | ||
| Number of reflections | 59353 | ||
| <I/σ(I)> | 11.5 | 2.2 | |
| Completeness [%] | 99.5 | 98.5 | 98.7 |
| Redundancy | 9 | 9.1 | 5.9 |
| CC(1/2) | 0.996 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.1 M Bis_Tris Propane buffer, 1.5 M lithium sulfate, 0.01 M Hexammine cobalt chloride |
