4IWT
Crystal structure of the C-teminal choline-binding domain of the Streptococcus pneumoniae prophage LytA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-05-07 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.581, 113.361, 40.641 |
Unit cell angles | 90.00, 94.91, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.20176 |
Rwork | 0.198 |
R-free | 0.27337 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gvn |
RMSD bond length | 0.012 |
RMSD bond angle | 1.714 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.500 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.140 | 0.610 |
Number of reflections | 10591 | |
<I/σ(I)> | 7.4 | 1.8 |
Completeness [%] | 93.9 | 90.1 |
Redundancy | 2.9 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.7M sodium citrate tribasic dihydrate, 0.1M bis-Tris propane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |