2AIR
T-state Active Site of Aspartate Transcarbamylase:Crystal Structure of the Carbamyl Phosphate and L-alanosine Ligated Enzyme
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 | 2004-08-09 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9186 |
Spacegroup name | H 3 |
Unit cell lengths | 129.152, 129.152, 198.097 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.239 |
Rwork | 0.239 |
R-free | 0.27300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1d09 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.490 |
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] | 30.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.066 | 0.500 |
Number of reflections | 74502 | |
<I/σ(I)> | 10.7 | 0.71 |
Completeness [%] | 89.5 | 56.2 |
Redundancy | 1.7 | 1.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | PEG-4000, iso-propranol, sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |