2H70
Crystal Structure of Thioredoxin Mutant D9E 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 | 2006-04-12 |
Detector | BRUKER SMART 6000 |
Spacegroup name | P 61 |
Unit cell lengths | 103.026, 103.026, 40.279 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.280 - 2.700 |
R-factor | 0.21 |
Rwork | 0.206 |
R-free | 0.29200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2TRX-A |
RMSD bond length | 0.019 |
RMSD bond angle | 1.619 |
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] | 40.280 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 6875 | |
<I/σ(I)> | 22.53 | 3.19 |
Completeness [%] | 99.6 | 98.9 |
Redundancy | 11.81 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.5 | 277 | 60% (v/v) MPD, Ac2Cu 1 mM, Hepes 15 mM pH 7.0, Counter-diffusion, temperature 277K, pH 3.50 |