4FYI
Crystal structure of rcl with 6-cyclopentyl-AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Detector technology | CCD |
| Collection date | 2010-04-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 91.567, 118.873, 57.537 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.500 - 1.960 |
| R-factor | 0.18082 |
| Rwork | 0.179 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.160 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.500 | 2.000 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.307 | |
| Number of reflections | 48894 | |
| <I/σ(I)> | 3.3 | |
| Completeness [%] | 96.9 | 92.9 |
| Redundancy | 7.7 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 100 mM Tris, 1.1 Ammonium Sulphate, 20 mM MgAcetate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291.K |
