3A0W
Catalytic domain of histidine kinase ThkA (TM1359) for MAD phasing (nucleotide free form 2, orthorombic)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-30 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0072, 1.0090, 0.9900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.092, 61.148, 90.287 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.690 |
R-factor | 0.214 |
Rwork | 0.213 |
R-free | 0.24000 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.474 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.750 |
High resolution limit [Å] | 1.690 | 1.690 |
Number of reflections | 36504 | |
<I/σ(I)> | 25.4 | 4.7 |
Completeness [%] | 97.5 | 93 |
Redundancy | 4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 40% MPD, 0.1M sodium cacodylate, 5% PEG8000, pH 6.5, VAPOR DIFFUSION, temperature 293K |