3NPM
Crystal Structure of the C47A/A241C disulfide-linked C6 Aspartate Transcarbamoylase enzyme
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 | 2009-10-27 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 141.780, 141.780, 141.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.750 - 2.100 |
R-factor | 0.178 |
Rwork | 0.177 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1d09 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.916 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.077 | 0.541 |
Number of reflections | 28904 | |
<I/σ(I)> | 8.9 | 8.3 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 22.8 | 43 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 10 mg/mL of C47A/A241C c6 in 100 mM tris-acetate pH 8.3, in a 1:1 ratio (v/v), with reservoir. Crystallization buffer consisted of 40% PEG 1000, 100 mM NH4H2PO4, and 100 mM HEPES, VAPOR DIFFUSION, HANGING DROP, temperature 293K |