5UFY
Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain
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 | 2014-08-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.08 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 70.203, 70.203, 135.577 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.051 - 1.120 |
R-factor | 0.1508 |
Rwork | 0.150 |
R-free | 0.16810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.939 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.160 |
High resolution limit [Å] | 1.120 | 1.120 |
Rmerge | 0.053 | 0.344 |
Number of reflections | 65286 | |
<I/σ(I)> | 64.2 | 13.2 |
Completeness [%] | 99.1 | 97.6 |
Redundancy | 15.2 | 13.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 293 | 1.8 M NaH2PO4/K2HPO4 |