2HF7
Transition State Analogue of AphA class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.939239 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.430, 66.484, 91.624 |
| Unit cell angles | 90.00, 121.12, 90.00 |
Refinement procedure
| Resolution | 51.160 - 1.600 |
| R-factor | 0.17351 |
| Rwork | 0.171 |
| R-free | 0.19628 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB code: 2B82 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.148 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.160 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.093 | 0.448 |
| Number of reflections | 62575 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 279 | Reservoior: Na acetate 50mM, 18% (w/v) PEG6000, 0.6% (w/v) Spermine. Protein concentration: 4.16 mg/ml, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 279K |
