2FWH
atomic resolution crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (reduced form at pH7)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 101 |
Detector technology | CCD |
Collection date | 2004-06-05 |
Detector | MARRESEARCH |
Wavelength(s) | 0.8555 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 30.289, 46.072, 74.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 0.990 |
Rwork | 0.113 |
R-free | 0.14600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | modified version of 2TRX (see publication) |
RMSD bond length | 0.014 |
RMSD bond angle | 0.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.030 |
High resolution limit [Å] | 0.990 | 0.990 |
Number of reflections | 58388 | |
<I/σ(I)> | 18.8 | 2.6 |
Completeness [%] | 99.6 | 96.9 |
Redundancy | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277.15 | 0.1M ammonium acetate, 0.2M sodium acetate, 0.1M sodium iodide, 40% PEG 4000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |