4R0M
Structure of McyG A-PCP complexed with phenylalanyl-adenylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979228 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 120.710, 120.710, 262.780 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.845 - 2.450 |
| R-factor | 0.24807 |
| Rwork | 0.247 |
| R-free | 0.27348 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.956 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.845 | 2.580 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 81008 | |
| Completeness [%] | 99.4 | 98.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 1.8M (NH4)2SO4, 0.1M NaKHPO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
