1KA1
The PAPase Hal2p complexed with calcium and magnesium ions and reaction substrate: PAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.8700 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.875, 44.968, 72.110 |
| Unit cell angles | 90.00, 110.72, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.300 |
| R-factor | 0.13445 |
| Rwork | 0.133 |
| R-free | 0.16930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qgx |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.700 * |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.310 | 1.334 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.080 | 0.450 |
| Number of reflections | 73179 | |
| <I/σ(I)> | 16.4 | 2.1 |
| Completeness [%] | 90.3 | 77 * |
| Redundancy | 2.9 | 2.6 |
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 calcium chloride for 5 hours.) , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium acetate | 0.1 (M) | |
| 2 | 1 | drop | MES | 0.1 (M) | |
| 3 | 1 | drop | beta-mercaptoethanol | 5 (mM) | |
| 4 | 1 | drop | PEG5000 MME | 30 (%(w/v)) | |
| 5 | 1 | drop | protein | 0.56 (mM) | |
| 6 | 1 | reservoir | 1 (M) | or 0.5M CaCl2 |
