4EVM
1.5 Angstrom crystal structure of soluble domain of membrane-anchored thioredoxin family protein from Streptococcus pneumoniae strain Canada MDR_19A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.247, 63.247, 89.872 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.831 - 1.506 |
R-factor | 0.1703 |
Rwork | 0.169 |
R-free | 0.19840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2h30 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.436 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 29395 | |
<I/σ(I)> | 40.22 | 3.11 |
Completeness [%] | 99.8 | 100 |
Redundancy | 5.6 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 25% w/v PEG3350, 0.2 M magnesium chloride, 0.1 M Tris-Cl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |