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 |