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 |