5CRF
Structure of the penicillin-binding protein PonA1 from Mycobacterium Tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.987857 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.006, 333.314, 47.528 |
| Unit cell angles | 90.00, 108.37, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.16302 |
| Rwork | 0.161 |
| R-free | 0.20523 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.645 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.530 |
| Number of reflections | 120754 | |
| <I/σ(I)> | 30.3 | 2.4 |
| Completeness [%] | 96.8 | 97.6 |
| Redundancy | 4.9 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 273 | 0.2 M Lithium chloride, 0.1 M HEPES, 20 % PEG6000 |
