1HHA
Decaplanin first P6122-Form
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-10-15 |
| Detector | CHESS |
| Wavelength(s) | 0.98000,0.98500 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 64.364, 64.364, 84.128 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.230 - 1.900 |
| R-factor | 0.2155 |
| R-free | 0.26510 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.048 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.230 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.038 | 0.103 |
| Number of reflections | 8592 | |
| <I/σ(I)> | 26.2 | 7.28 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 10.5 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1M TRIS, PH=8.5, 44% MGSO4, pH 8.50 |
