3LGG
Crystal structure of human adenosine deaminase growth factor, adenosine deaminase type 2 (ADA2) complexed with transition state analogue, coformycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.009 |
Spacegroup name | P 1 |
Unit cell lengths | 63.249, 72.993, 80.537 |
Unit cell angles | 113.55, 94.89, 91.53 |
Refinement procedure
Resolution | 66.820 - 2.500 |
R-factor | 0.19414 |
Rwork | 0.192 |
R-free | 0.22483 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.225 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.520 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.069 | 0.320 |
Number of reflections | 43967 | |
<I/σ(I)> | 9.794 | 3.1 |
Completeness [%] | 96.8 | 95.8 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.04 | 293 | 40% MPD, 5% PEG 8000, 0.1M cacodylate, 2 mM coformycin, pH 6.04, VAPOR DIFFUSION, HANGING DROP, temperature 293K |