2FD3
Crystal Structure of Thioredoxin Mutant P34H
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-28 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.138, 90.041, 36.326 |
Unit cell angles | 90.00, 112.99, 90.00 |
Refinement procedure
Resolution | 16.440 - 2.450 |
R-factor | 0.18527 |
Rwork | 0.180 |
R-free | 0.30495 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2TRX_A |
RMSD bond length | 0.012 |
RMSD bond angle | 1.200 |
Data reduction software | PROTEUM PLUS (2) |
Data scaling software | SAINT |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.674 | 2.500 |
High resolution limit [Å] | 2.450 | 2.450 |
Number of reflections | 4223 | |
<I/σ(I)> | 10.88 | 3.06 |
Completeness [%] | 61.9 | 47.8 |
Redundancy | 1.19 | 0.61 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 8 | 277 | 60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 8.0, Counter-diffusion, temperature 277K |