2CC2
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 5'deoxyadenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-21 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.990, 129.676, 184.505 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.000 |
| R-factor | 0.191 |
| Rwork | 0.187 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c2w |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.120 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.900 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.270 |
| Number of reflections | 45862 | |
| <I/σ(I)> | 9.9 | 2.1 |
| Completeness [%] | 74.1 | 66.9 |
| Redundancy | 2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 24% PEG 1K, 100MM PHOSPHATE CITRATE PH4.4, 200MM LI2SO4, 20MM NACL, pH 4.00 |
