2EIQ
Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-05-16 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.209, 49.557, 59.427 |
Unit cell angles | 90.00, 113.33, 90.00 |
Refinement procedure
Resolution | 41.600 - 1.900 |
R-factor | 0.18731 |
Rwork | 0.184 |
R-free | 0.21845 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2trx |
RMSD bond length | 0.017 |
RMSD bond angle | 1.584 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.550 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.083 | 0.304 |
Number of reflections | 18812 | |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 40% MPD, 1MM CUPRIC ACETATE, 10MM SODIUM ACETATE, pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 277K |