3DF9
Crystal structure of E. coli MTA/SAH nucleosidase in complex with BnT-DADMeImmA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-07-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.611, 69.748, 127.868 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.890 - 1.950 |
R-factor | 0.17715 |
Rwork | 0.175 |
R-free | 0.20802 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y6q |
RMSD bond length | 0.012 |
RMSD bond angle | 1.308 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.930 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.078 | 0.300 |
Number of reflections | 33372 | |
<I/σ(I)> | 24.6 | 9.8 |
Completeness [%] | 96.8 | 95.3 |
Redundancy | 15.9 | 15.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 35 % (v/v) 2-propanol, 50 mM sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |