1KA0
The PAPase Hal2p complexed with a sodium ion and the reaction product AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-08-05 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.600, 45.110, 71.600 |
Unit cell angles | 90.00, 111.36, 90.00 |
Refinement procedure
Resolution | 24.000 - 1.800 |
R-factor | 0.14951 |
Rwork | 0.147 |
R-free | 0.19539 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qgx |
Data reduction software | X-GEN |
Data scaling software | CCP4 ((SCALA)) |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.000 | 1.846 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.070 | 0.370 |
Number of reflections | 26475 | |
<I/σ(I)> | 20.7 | 3.6 |
Completeness [%] | 87.2 | 87.5 |
Redundancy | 3.2 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 30% PEG5000 MME, 0.1 M sodium acetate, 5 mM beta-mercaptoethanol, 0.1 M MES. (Crystals were soaked in mother liquor containing 0.5 M sodium chloride for 1 hour.) , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |