3HVV
Escherichia coli Thiol peroxidase (Tpx) peroxidatic cysteine to serine mutant (C61S)
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 31 2 1 |
| Unit cell lengths | 59.535, 59.535, 73.323 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.000 - 1.750 |
| R-factor | 0.13912 |
| Rwork | 0.136 |
| R-free | 0.19526 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | chain A of pdb entry 3HVS |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.757 |
| 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] | 42.000 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 13755 | |
| <I/σ(I)> | 26.5 | 3.2 |
| Completeness [%] | 92.8 | 63.1 |
| Redundancy | 7.7 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 22% (w/v) PEG 8000, 0.05 M potassium phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
