1X1K
Host-guest peptide (Pro-Pro-Gly)4-(Pro-alloHyp-Gly)-(Pro-Pro-Gly)4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL40B2 |
Synchrotron site | SPring-8 |
Beamline | BL40B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-21 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.8, 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 26.445, 26.039, 80.309 |
Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.100 |
Rwork | 0.170 |
R-free | 0.23160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1itt |
RMSD bond length | 0.013 |
RMSD bond angle | 0.027 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | CrystalClear ((MSC/RIGAKU)) |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.220 | |
Number of reflections | 43437 | |
<I/σ(I)> | 2.4 | |
Completeness [%] | 99.7 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | PEG200, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |