2QST
Crystal structure of the V39C mutant of the N-terminal domain of carcinoembryonic antigen (CEA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-10-12 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | H 3 2 |
Unit cell lengths | 127.228, 127.228, 166.940 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.890 - 2.900 |
R-factor | 0.215 |
Rwork | 0.215 |
R-free | 0.25000 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.458 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.228 | |
Number of reflections | 11745 | |
<I/σ(I)> | 9 | 1.2 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 8.9 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 277 | 2.5 M NaCl, 0.1 M Tris-HCl, pH 7.0, vapor diffusion, temperature 277K |