4F04
A Second Allosteric site in E. coli Aspartate Transcarbamoylase: R-state ATCase with UTP bound
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 | 2012-01-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 121.277, 121.277, 155.109 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.741 - 2.300 |
R-factor | 0.1747 |
Rwork | 0.173 |
R-free | 0.20670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.082 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.101 | 0.074 | 0.698 |
Number of reflections | 59217 | ||
<I/σ(I)> | 33.457 | ||
Completeness [%] | 100 | 100 | |
Redundancy | 23.2 | 30.8 | 20.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 5.95 | 298 | 50 mM maleic acid, 3 mM sodium azide, 1 mM PALA, adjusted to pH=5.95 with N-ethylmorpholine, MICRODIALYSIS, temperature 298K |