4AYU
Structure of N-Acetyl-D-Proline bound to serum amyloid P component
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-01-15 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.420, 70.555, 99.055 |
| Unit cell angles | 90.00, 96.90, 90.00 |
Refinement procedure
| Resolution | 28.663 - 1.500 |
| R-factor | 0.1548 |
| Rwork | 0.155 |
| R-free | 0.16760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sac |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.260 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.240 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.090 | 0.960 |
| Number of reflections | 198644 | |
| <I/σ(I)> | 14.1 | 2.6 |
| Completeness [%] | 96.5 | 91 |
| Redundancy | 7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 60 MM TRIS-HCL PH 8.0, 10 MM CACL2, 84 MM NACL, 20% GLYCEROL V/V, 17% PEG550 MME V/V |
