3UPO
Structure of penicillin-binding protein A from M. tuberculosis: penicillin G acyl-enzyme complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 61 |
Unit cell lengths | 123.210, 123.210, 97.320 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.280 - 2.300 |
R-factor | 0.19734 |
Rwork | 0.195 |
R-free | 0.24326 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3lo7 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.345 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.300 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.497 |
Number of reflections | 36564 | |
<I/σ(I)> | 34 | 2.7 |
Completeness [%] | 98.1 | 91.1 |
Redundancy | 10.9 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 25% PEG 3350, 0.2 M NaCl, 0.1 M Bis-Tris pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |