2Y28
crystal structure of Se-Met AmpD derivative
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97856, 0.978910, 0.918400 |
| Spacegroup name | P 32 |
| Unit cell lengths | 67.693, 67.693, 92.681 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 58.624 - 1.800 |
| R-factor | 0.1835 |
| Rwork | 0.178 |
| R-free | 0.23180 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.078 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.620 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.540 |
| Number of reflections | 42178 | |
| <I/σ(I)> | 16 | 2.6 |
| Completeness [%] | 96.0 | 76 |
| Redundancy | 7.9 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.1 M TRIS PH 6.0, 0.1 M LI2SO4, 28% PEG 3350. |
