4BIU
Crystal structure of CpxAHDC (orthorhombic form 1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 143.274, 191.697, 205.013 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.920 - 3.650 |
R-factor | 0.2115 |
Rwork | 0.211 |
R-free | 0.22720 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.920 | 3.850 |
High resolution limit [Å] | 3.650 | 3.650 |
Rmerge | 0.100 | |
Number of reflections | 31735 | |
<I/σ(I)> | 18.7 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.5 | 13.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |