1TUG
Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide, Malonate, and Cytidine-5-Prime-Triphosphate (CTP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1997-12-31 |
Detector | UCSD MARK III |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 122.290, 122.290, 142.410 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
R-factor | 0.2196 |
R-free | 0.27190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | UNPUBLISHED |
RMSD bond length | 0.006 |
RMSD bond angle | 0.024 |
Data reduction software | SDMS |
Data scaling software | SDMS |
Phasing software | X-PLOR |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.100 | 0.430 |
Number of reflections | 67173 | |
<I/σ(I)> | 6.41 | 1.09 |
Completeness [%] | 88.4 | 68.1 |
Redundancy | 3.5 | 1.09 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 295 | 100 mM sodium citrate, 1 mM 2-mercaptoethanol, 0.2 mM EDTA and 1.0 mM CTP pH 6.0 then soaked for 24 hours in 100 mM malonate, 2 mM CTP, 3 mM sodium azide, 2 mM 2-mercaptoethanol, and 15% PEG 8000 pH 7.0. Before mounting, 50 mM PAM was added and the crystal allowed to soak until data collected., MICRODIALYSIS, temperature 295K, pH 6.00 |