1I4U
THE C1 SUBUNIT OF ALPHA-CRUSTACYANIN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-09-03 |
Detector | MARRESEARCH |
Wavelength(s) | 1.77, 0.72 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.230, 79.720, 109.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.150 |
R-factor | 0.1496 * |
Rwork | 0.150 |
R-free | 0.18800 |
Structure solution method | ab initio using S positions from 'anomalous data' collected at 1.77A wavelength |
RMSD bond length | 0.013 |
RMSD bond angle | 2.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.051 | 0.453 |
Number of reflections | 145492 | |
<I/σ(I)> | 24.5 | |
Completeness [%] | 99.6 | 99.1 |
Redundancy | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | Wright, C.E., (1992) J. Mol. Biol., 224, 283. * |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | Wright, C.E., (1992) J. Mol. Biol., 224, 283. * |