1R0B
Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.928 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 120.694, 155.400, 194.957 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.900 |
| R-factor | 0.26 |
| Rwork | 0.240 |
| R-free | 0.30000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q95 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.620 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 61088 | |
| <I/σ(I)> | 13.3 | 1.8 |
| Completeness [%] | 74.7 | 75.6 |
| Redundancy | 3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 5.8 | 294 | sodium citrate, sodium phosphate, N-ethylmorpholine, pH 5.8, MICRODIALYSIS, temperature 294K |
