2ZC6
Penicillin-binding protein 1A (PBP 1A) acyl-enzyme complex (tebipenem) from Streptococcus pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 185.755, 50.277, 109.535 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.880 - 2.700 |
R-factor | 0.23019 |
Rwork | 0.228 |
R-free | 0.27099 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c6w |
RMSD bond length | 0.007 |
RMSD bond angle | 1.024 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.880 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.123 | 0.364 |
Number of reflections | 29074 | |
<I/σ(I)> | 7.2 | 2.7 |
Completeness [%] | 100.0 | 99.6 |
Redundancy | 4.5 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 0.004-0.006M ZINC SULFATE, 0.05M MES, pH6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |