2DST
Crystal Structure Analysis of TT1977
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-18 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.714, 65.822, 59.320 |
Unit cell angles | 90.00, 92.61, 90.00 |
Refinement procedure
Resolution | 31.680 - 2.000 |
R-factor | 0.201 |
Rwork | 0.201 |
R-free | 0.24500 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.151 | |
Number of reflections | 15276 | |
<I/σ(I)> | 20.436 | 6.64 |
Completeness [%] | 93.5 | 80.3 |
Redundancy | 3.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 1M 1,6-Hexanediol, 0.1M Na Acetate (pH 4.6), 0.005M CoCl2, 10% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 1M 1,6-Hexanediol, 0.1M Na Acetate (pH 4.6), 0.005M CoCl2, 10% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |