1TJB
Crystal Structure of a High Affinity Lanthanide-Binding Peptide (LBT)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-07-26 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 52.160, 22.270, 30.030 |
Unit cell angles | 90.00, 103.89, 90.00 |
Refinement procedure
Resolution | 17.180 - 2.000 |
R-factor | 0.1647 |
Rwork | 0.161 |
R-free | 0.19530 |
Structure solution method | SAD PHASING |
RMSD bond length | 0.004 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.107 | 0.171 |
Number of reflections | 2315 | |
<I/σ(I)> | 15.2 | 7.8 |
Completeness [%] | 99.1 | 100 |
Redundancy | 3.6 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | t-Butanol, Terbium Chloride, sodium chloride, tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |