2V7U
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase s158g mutant complexed with s-adenosylmethionine and chloride ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-05-28 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.224, 129.377, 183.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.700 - 2.000 |
R-factor | 0.166 |
Rwork | 0.164 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rqp |
RMSD bond length | 0.013 |
RMSD bond angle | 1.352 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.080 | 0.360 |
Number of reflections | 55867 | |
<I/σ(I)> | 17.8 | 3.3 |
Completeness [%] | 96.0 | 98.6 |
Redundancy | 4.9 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 0.1M CITRATE-PHOSPHATE BUFFER PH4.6, 20%(W/V) PEG1000, 0.2M LICL |