2CBX
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with beta-D-erythrofuranosyl- adenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 130 |
| Detector technology | CCD |
| Collection date | 2005-06-14 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 74.815, 128.017, 181.028 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.540 - 2.000 |
| R-factor | 0.176 |
| Rwork | 0.172 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c2w |
| 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] | 52.560 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.380 |
| Number of reflections | 209563 | |
| <I/σ(I)> | 14.7 | 3.1 |
| Completeness [%] | 97.6 | 97.1 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 32% PEG 1K 100 MM PHOSPHATE CITRATE PH4.2 200 MM LI2SO4, pH 4.00 |
