2JAT
Structure of deoxyadenosine kinase from M.mycoides with products dcmp and a flexible dcdp bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-30 |
Detector | ADSC CCD |
Spacegroup name | P 31 |
Unit cell lengths | 83.931, 83.931, 53.310 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.600 |
R-factor | 0.224 |
Rwork | 0.222 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jas |
RMSD bond length | 0.010 |
RMSD bond angle | 1.269 |
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] | 43.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.040 | 0.300 |
Number of reflections | 11196 | |
<I/σ(I)> | 22.7 | 4.1 |
Completeness [%] | 98.0 | 99.6 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.9 | 20% PEG 3350, 0.2 M MGCL2, pH 5.90 |