3BEB
Crystal structure of E. coli penicillin-binding protein 5 in complex with a peptide-mimetic penicillin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-08-23 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 109.200, 50.400, 84.700 |
Unit cell angles | 90.00, 120.80, 90.00 |
Refinement procedure
Resolution | 47.000 - 2.000 |
R-factor | 0.238 |
Rwork | 0.235 |
R-free | 0.29600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1nzo |
RMSD bond length | 0.011 |
RMSD bond angle | 1.395 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.107 | 0.305 |
Number of reflections | 25433 | |
<I/σ(I)> | 6.8 | 2 |
Completeness [%] | 94.3 | 85.9 |
Redundancy | 2.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 294 | 100mM Tris pH 8.0, 8% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 294K, pH 8.00 |