3MZD
Structure of penicillin-binding protein 5 from E. coli: cloxacillin acyl-enzyme complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-12-07 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 109.840, 50.230, 84.030 |
Unit cell angles | 90.00, 119.93, 90.00 |
Refinement procedure
Resolution | 54.000 - 1.900 |
R-factor | 0.216 |
Rwork | 0.214 |
R-free | 0.25700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1nzo |
RMSD bond length | 0.011 |
RMSD bond angle | 1.374 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.073 | 0.336 |
Number of reflections | 30737 | |
<I/σ(I)> | 7 | 2 |
Completeness [%] | 97.5 | 78.5 |
Redundancy | 4.9 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 100 MM TRIS PH 7.0, 8 % PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 294K |