5OIZ
Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae in complex with oxacillin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97924 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 100.415, 100.415, 189.799 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.540 - 2.700 |
R-factor | 0.21985 |
Rwork | 0.217 |
R-free | 0.28096 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k25 |
RMSD bond length | 0.028 |
RMSD bond angle | 2.596 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.790 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.137 | 1.140 |
Rpim | 0.078 | 0.670 |
Number of reflections | 30875 | 4451 |
<I/σ(I)> | 8.5 | 1.2 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.8 | 3.8 |
CC(1/2) | 0.990 | 0.580 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 2.3-3.0 M NaCl, 0.1 M sodium acetate pH 4.5 |