4OW8
Crystal structure of kinase domain of PknA from Mtb
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-10-24 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 54.139, 58.412, 78.867 |
| Unit cell angles | 90.00, 96.20, 90.00 |
Refinement procedure
| Resolution | 46.840 - 2.030 |
| R-factor | 0.22846 |
| Rwork | 0.226 |
| R-free | 0.27490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o6y |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.380 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.840 | 2.140 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Number of reflections | 15916 | |
| <I/σ(I)> | 22.9 | 10.3 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 6 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.25 M NaCl, 1.1 M (NH4)2SO4, 0.1 M Bis-Tris (pH 6.5) |
