4X43
Structure of proline-free E. coli Thioredoxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-05-26 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97941 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.670, 48.570, 89.940 |
Unit cell angles | 90.00, 101.01, 90.00 |
Refinement procedure
Resolution | 44.100 - 1.650 |
R-factor | 0.1769 |
Rwork | 0.176 |
R-free | 0.21790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hu7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.016 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.100 | 1.690 | |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.139 | 0.026 | 2.031 |
Rmeas | 0.145 | 0.027 | 2.120 |
Total number of observations | 437002 | ||
Number of reflections | 35498 | 427 | 2577 |
<I/σ(I)> | 14.04 | 77.57 | 1.14 |
Completeness [%] | 99.9 | 99.3 | 99.6 |
Redundancy | 12.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10% (w/v) PEG 1000, 10% (w/v) PEG 8000 |