2H34
Apoenzyme crystal structure of the tuberculosis serine/threonine kinase, PknE
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] | 93 |
Detector technology | CCD |
Collection date | 2004-06-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9796 |
Spacegroup name | P 65 |
Unit cell lengths | 77.078, 77.078, 221.024 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.100 - 2.800 |
R-factor | 0.218 |
Rwork | 0.216 |
R-free | 0.26500 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.208 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE (2.06) |
Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
Rmerge | 0.088 | 0.074 | 0.615 |
Number of reflections | 18268 | ||
<I/σ(I)> | 12.3 | ||
Completeness [%] | 99.9 | 99.2 | 100 |
Redundancy | 5.8 | 5.6 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 291 | 12% PEG 8000, 0.2M NaBr, 0.1M HEPES pH 7.0, microbatch, temperature 291K |