2H72
Crystal Structure of Thioredoxin mutant E85D in Hexagonal (p61) Space Group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM16 |
Synchrotron site | ESRF |
Beamline | BM16 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-02 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 61 |
Unit cell lengths | 103.507, 103.507, 41.396 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.250 |
R-factor | 0.227 |
Rwork | 0.225 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2trx |
RMSD bond length | 0.013 |
RMSD bond angle | 1.518 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.059 | 0.352 |
Number of reflections | 12290 | |
<I/σ(I)> | 25.82 | 3.69 |
Completeness [%] | 99.0 | 95.5 |
Redundancy | 7.1 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.5 | 277 | 60% (v/v) MPD, Hepes 15 mM pH 7.0, 1 mM Ac2Cu, Counter-diffusion, temperature 277K, pH 3.50 |