3O4V
Crystal structure of E. coli MTA/SAH nucleosidase in complex with (4-Chlorophenyl)thio-DADMe-ImmA
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) | 1.542 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.600, 69.090, 128.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.390 - 1.750 |
R-factor | 0.1565 |
Rwork | 0.152 |
R-free | 0.19450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.030 |
RMSD bond angle | 2.063 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.4L) |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.930 | 32.930 | 1.810 |
High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
Rmerge | 0.049 | 0.022 | 0.284 |
Total number of observations | 63336 | 57354 | |
Number of reflections | 46533 | ||
<I/σ(I)> | 29.5 | 70.5 | 7.8 |
Completeness [%] | 98.8 | 100 | 95.1 |
Redundancy | 12.31 | 12.47 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.6 | 298 | 60 mM Sodium acetate, pH 4.6, 35% (v/v) isopropanol, vapor diffusion, temperature 298K |