4HQZ
Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_1000 (Etrx2) from Streptococcus pneumoniae strain TIGR4 in complex with 2-hydroxyethyl disulfide
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 | 2012-06-15 |
Detector | Pilatus 2M |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 32.100, 36.080, 58.640 |
Unit cell angles | 101.13, 100.26, 101.59 |
Refinement procedure
Resolution | 23.887 - 1.220 |
R-factor | 0.1556 |
Rwork | 0.154 |
R-free | 0.17620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2h1b |
RMSD bond length | 0.009 |
RMSD bond angle | 1.256 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.890 | 1.240 |
High resolution limit [Å] | 1.220 | 1.220 |
Number of reflections | 67595 | |
Completeness [%] | 92.1 | 92.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 30% PEG 1500 , VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |