2C5B
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 2'deoxy-5'deoxy-fluoroadenosine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 130 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-05-17 |
| Detector | RAXIS |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.153, 129.669, 183.165 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.000 - 2.500 |
| R-factor | 0.193 |
| Rwork | 0.189 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rqp |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.408 |
| 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] | 37.690 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.140 | 0.320 |
| Number of reflections | 27454 | |
| <I/σ(I)> | 7.3 | 3.4 |
| Completeness [%] | 87.0 | 88 |
| Redundancy | 2.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 32%PEG 1K, 100MM PHOSPHATECITRATE PH4.2, 200MM LI2SO4, pH 4.00 |
