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 |