3LO7
Crystal structure of PBPA from Mycobacterium tuberculosis
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 | 2005-06-27 |
| Detector | MAR CCD 225 mm |
| Wavelength(s) | 0.97932,0.97946,0.97180 |
| Spacegroup name | P 61 |
| Unit cell lengths | 120.600, 120.600, 92.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.300 - 2.050 |
| R-factor | 0.217 |
| Rwork | 0.215 |
| R-free | 0.25200 |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.303 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.300 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.076 | 0.548 |
| Number of reflections | 47630 | |
| <I/σ(I)> | 45.9 | 2.6 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 11.2 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | 35% PEG 1000, 0.2M ammonium acetate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
