5JEZ
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with tripeptide Met-Ala-Ser
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-23 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 0.934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.150, 65.550, 88.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.410 - 1.700 |
R-factor | 0.15 |
Rwork | 0.149 |
R-free | 0.18800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aie |
RMSD bond length | 0.033 |
RMSD bond angle | 2.514 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.475 | |
Number of reflections | 26908 | |
<I/σ(I)> | 15.88 | 4.45 |
Completeness [%] | 98.4 | 96.9 |
Redundancy | 7.24 | 7.28 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 6% PEG-8000, 100mM Na Cacodylate pH6.5, 350mM Zn acetate |