2EPG
Crystal structure of TTHA1785
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-07 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 0.97884, 0.97935, 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.689, 66.685, 116.988 |
Unit cell angles | 90.00, 101.21, 90.00 |
Refinement procedure
Resolution | 38.630 - 2.100 |
R-factor | 0.199 |
Rwork | 0.199 |
R-free | 0.23800 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.084 | 0.619 |
Number of reflections | 56468 | |
<I/σ(I)> | 21.3 | 2.32 |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 5.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 20mM Tris (pH 8.0), 150mM NaCl, 1mM DTT, 20% PEG 3350, 0.2M MgSO4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |