3L8C
Structure of probable D-alanine--poly(phosphoribitol) ligase subunit-1 from Streptococcus pyogenes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 89.024, 153.736, 84.794 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.760 - 2.410 |
R-factor | 0.22 |
Rwork | 0.217 |
R-free | 0.27500 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.512 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.104 | 0.053 | 0.707 |
Number of reflections | 45876 | ||
<I/σ(I)> | 8.7 | ||
Completeness [%] | 99.9 | 98.3 | 100 |
Redundancy | 7.7 | 6.7 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1 M Bis-Tris pH 5.5, 25% PEG 3350, Vapor diffusion, Sitting drop, temperature 298K |