4ESQ
Crystal structure of the extracellular domain of PknH from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.455, 35.923, 49.308 |
| Unit cell angles | 90.00, 98.36, 90.00 |
Refinement procedure
| Resolution | 48.784 - 1.700 |
| R-factor | 0.1647 |
| Rwork | 0.163 |
| R-free | 0.19740 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.960 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.13) |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.061 | 0.040 | 0.253 |
| Number of reflections | 34200 | ||
| <I/σ(I)> | 17.1 | ||
| Completeness [%] | 98.8 | 99.7 | 98.1 |
| Redundancy | 3.8 | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 291 | 0.1 M Bis-Tris, 0.2 M ammonium acetate, 25% PEG 3350, 50mM terbium nitrate, pH 5.5, VAPOR DIFFUSION, temperature 291K |
