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. |