1IM5
Crystal Structure of Pyrazinamidase of Pyrococcus horikoshii in Complex with Zinc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.978, 43.266, 55.553 |
| Unit cell angles | 90.00, 101.34, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.650 |
| R-factor | 0.1529 |
| Rwork | 0.153 |
| R-free | 0.23200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | a structure obtained on MAD data |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 2.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.036 | 0.064 |
| Number of reflections | 18049 | |
| <I/σ(I)> | 37.8 | 25.5 |
| Completeness [%] | 97.3 | 81.9 |
| Redundancy | 3.11 | 2.02 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | 27.5% peg 3350, 100mM sodium acetate, pH 4.6, 250 mM ammonium acetate, 8% glycerol. Seeding., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH7.5 |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.6 |
| 5 | 1 | reservoir | ammonium acetate | 250 (mM) | |
| 6 | 1 | reservoir | 5 (mM) | ||
| 7 | 1 | reservoir | glycerol | 8 (%) | |
| 8 | 1 | reservoir | PEG3350 | 27.5 (%) |
