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 |