2V7X
X-RAY CRYSTAL STRUCTURE OF 5'-FLUORODEOXYADENOSINE SYNTHASE S158A mutant FROM STREPTOMYCES CATTLEYA COMPLEXED WITH the PRODUCTS, FDA and Met
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 | 2005-06-15 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 74.575, 127.355, 180.192 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.200 - 1.960 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rqp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.429 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.400 | 2.030 |
| High resolution limit [Å] | 2.000 | 1.960 |
| Rmerge | 0.050 | 0.330 |
| Number of reflections | 47782 | |
| <I/σ(I)> | 28.3 | 4.2 |
| Completeness [%] | 82.2 | 83 |
| Redundancy | 5.1 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | 0.1M CITRATE-PHOSPHATE BUFFER PH4.2, 24%PEG1000, 0.2M LI2SO4 |
