6POH
Crystal Structure of EcDsbA in complex alkyl ether 21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-01 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.050, 63.740, 74.540 |
Unit cell angles | 90.00, 124.95, 90.00 |
Refinement procedure
Resolution | 35.040 - 1.670 |
R-factor | 0.1649 |
Rwork | 0.164 |
R-free | 0.18870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fvk |
RMSD bond length | 0.006 |
RMSD bond angle | 0.744 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.170 | 1.760 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.058 | 0.544 |
Rmeas | 0.067 | 0.625 |
Rpim | 0.033 | 0.304 |
Number of reflections | 52681 | 7677 |
<I/σ(I)> | 14.3 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.2 | 4.1 |
CC(1/2) | 0.999 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293.15 | 11-13 % PEG 8000, 5-7.5% glycerol, 100mM Na Cacodylate pH6.1, 1mM CuCl2 |