3HVX
Escherichia coli Thiol peroxidase (Tpx) resolving cysteine to serine mutant (C95S) with an intermolecular disulfide bond
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.719, 123.362, 61.932 |
| Unit cell angles | 90.00, 103.01, 90.00 |
Refinement procedure
| Resolution | 61.660 - 2.120 |
| R-factor | 0.1707 |
| Rwork | 0.162 |
| R-free | 0.24784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hvv |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.588 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | MOLREP (v9.2) |
| Refinement software | REFMAC (5.5.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 32466 | |
| <I/σ(I)> | 10.7 | 3.3 |
| Completeness [%] | 96.6 | 90.7 |
| Redundancy | 2.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 15% (w/v) PEG 8000, 0.1 M Tris, 0.2 M magnesium chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
