2H6Y
Crystal Structure of Thioredoxin Mutant E48D in Hexagonal (p61) Space Group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-20 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 |
Unit cell lengths | 101.608, 101.608, 38.658 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.800 - 2.400 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.22950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2TRX_A |
RMSD bond length | 0.008 |
RMSD bond angle | 1.228 |
Data reduction software | PROTEUM PLUS (2) |
Data scaling software | SAINT |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.800 | 2.450 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 9093 | |
<I/σ(I)> | 18.96 | 3.45 |
Completeness [%] | 99.5 | 93.4 |
Redundancy | 10.25 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 3.5 | 277 | 60% (v/v) MPD, AcNa 15 mM pH 3.5, 1 mM Ac2Cu, Counter-diffusion, temperature 277K |