4FYY
E. coli Aspartate Transcarbamoylase Complexed with CTP, UTP, and Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 121.133, 121.133, 141.438 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.179 - 1.940 |
| R-factor | 0.1948 |
| Rwork | 0.193 |
| R-free | 0.23650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1za1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.139 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.010 |
| High resolution limit [Å] | 1.940 | 4.180 | 1.940 |
| Rmerge | 0.137 | 0.119 | 0.608 |
| Number of reflections | 89121 | ||
| <I/σ(I)> | 11.5 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 22 | 31.2 | 19.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 5.7 | 298 | 40 mM sodium citrate, 1 mM 2-mercaptoethanol, 0.2 mM EDTA, 1.0 mM CTP, pH 5.7 (crystals soaked in 5 mM UTP and 5 mM Mg2+), MICRODIALYSIS, temperature 298K |
