1FEZ
THE CRYSTAL STRUCTURE OF BACILLUS CEREUS PHOSPHONOACETALDEHYDE HYDROLASE COMPLEXED WITH TUNGSTATE, A PRODUCT ANALOG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-04-30 |
| Detector | FUJI |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 210.478, 45.778, 130.273 |
| Unit cell angles | 90.00, 104.97, 90.00 |
Refinement procedure
| Resolution | 100.000 - 3.000 |
| Rwork | 0.248 |
| R-free | 0.28400 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 21.530 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | XTALVIEW |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 |
| High resolution limit [Å] | 2.900 | 3.000 |
| Rmerge | 0.215 | 0.630 |
| Number of reflections | 38774 | |
| <I/σ(I)> | 6.56 | |
| Completeness [%] | 93.7 | 91 |
| Redundancy | 2.42 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291.14 | PEG 4000, TRIS-HCl, magnesium chloride, , pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 291.14K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 30 (%) | |
| 3 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 4 | 1 | reservoir | 100 (mM) |
