5FF8
TDG enzyme-product complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 96.905, 52.501, 81.212 |
Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
Resolution | 32.480 - 1.700 |
R-factor | 0.1955 |
Rwork | 0.194 |
R-free | 0.21750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4z3a |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.9) |
Refinement software | BUSTER-TNT (BUSTER 2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.480 | 32.480 | 1.740 |
High resolution limit [Å] | 1.700 | 7.870 | 1.700 |
Rmerge | 0.151 | 0.034 | |
Rpim | 0.089 | 0.013 | 1.079 |
Total number of observations | 485775 | 3437 | 1116 |
Number of reflections | 46782 | ||
<I/σ(I)> | 7.98 | 34.7 | 0.7 |
Completeness [%] | 100.0 | 98.6 | 100 |
Redundancy | 7.46 | 7.1 | 7.4 |
CC(1/2) | 0.997 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.2 M Ammonium chloride, 20% PEG 3350 |