2V7T
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase s158g mutant complexed with s-adenosyl-l-homocysteine and chloride ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-08 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.279, 127.811, 182.805 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.940 - 2.150 |
| R-factor | 0.171 |
| Rwork | 0.169 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rqp |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.434 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.200 | 2.230 |
| High resolution limit [Å] | 2.100 | 2.150 |
| Rmerge | 0.070 | 0.420 |
| Number of reflections | 45152 | |
| <I/σ(I)> | 18.7 | 2.4 |
| Completeness [%] | 97.0 | 89.6 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.1M CITRATE-PHOSPHATE BUFFER PH4.6, 18%(W/V)PEG1000, 0.2M LICL |
