4MLY
Disulfide isomerase from multidrug resistance IncA/C related integrative and conjugative elements in oxidized state (P21 space group)
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 | 2012-08-25 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.580, 110.460, 74.100 |
Unit cell angles | 90.00, 93.10, 90.00 |
Refinement procedure
Resolution | 35.081 - 2.207 |
R-factor | 0.1887 |
Rwork | 0.186 |
R-free | 0.23380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.512 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.790 | 2.270 |
High resolution limit [Å] | 2.207 | 2.207 |
Rmerge | 0.049 | 0.244 |
Number of reflections | 43861 | |
<I/σ(I)> | 16.2 | 5 |
Completeness [%] | 99.4 | 93.4 |
Redundancy | 4.5 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10% PEG4000, 20% v/v glycerol, 0.1 M MES/imidazole, 20 mM 1,6-hexanediol, 20 mM 1-butanol, 20 mM 1,2-propanediol (racemic), 20 mM 2-propanol, 20 mM 1,4-butanediol, 20 mM 1,3-propanediol , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |