2UUG
ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE:INHIBITOR COMPLEX WITH H187D MUTANT UDG AND WILD-TYPE UGI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 150 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.047, 86.515, 113.385 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.600 |
R-factor | 0.178 * |
Rwork | 0.178 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | WILD TYPE E. COLI UDG:UGI COMPLEX |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.121 * | 0.457 * |
Total number of observations | 82224 * | |
Number of reflections | 17739 | 1736 * |
<I/σ(I)> | 13.6 | 2.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8.2 | pH 8.2 |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 4000 | ||
2 | 1 | 1 | NACL | ||
3 | 1 | 1 | IMIDAZOLE | ||
4 | 1 | 1 | MALATE |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 45 (%(w/v)) | |
2 | 1 | reservoir | 2.5 (%(w/v)sat) | ||
3 | 1 | reservoir | imidazole-malate | 200 (mM) |