1ZCP
Crystal Structure of a catalytic site mutant E. coli TrxA (CACA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0023 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.720, 46.250, 126.000 |
| Unit cell angles | 90.00, 93.13, 90.00 |
Refinement procedure
| Resolution | 43.410 - 2.300 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xob |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.410 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 15211 | |
| Completeness [%] | 84.5 | 82.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 30% PEG4000, 0.1 M Tris, 0.2 M Magnesium chloride, 4% acetonitrile, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
