2H73
Crystal Structure of Thioredoxin Mutant D43E in Hexagonal (p61) Space Group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 |
Unit cell lengths | 102.991, 102.991, 42.445 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.600 - 2.450 |
R-factor | 0.212 |
Rwork | 0.209 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2trx |
RMSD bond length | 0.020 |
RMSD bond angle | 1.731 |
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] | 44.600 | 2.500 |
High resolution limit [Å] | 2.450 | 2.450 |
Number of reflections | 9672 | |
<I/σ(I)> | 22.19 | 3.93 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.43 | 8.26 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 7 | 277 | 60% (v/v) MPD, Ac2Cu 1 mM, Hepes 15 mM pH 7.0, Counter-diffusion, temperature 277K |