1XXU
Crystal Structure of AhpE from Mycrobacterium tuberculosis, a 1-Cys peroxiredoxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 113 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.91983 |
Spacegroup name | P 42 |
Unit cell lengths | 148.199, 148.199, 33.864 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.050 - 1.900 |
Rwork | 0.242 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xvw |
RMSD bond length | 0.012 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.050 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 59088 | |
<I/σ(I)> | 16.2 | 2.29 |
Completeness [%] | 99.8 | |
Redundancy | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 1.8M sodium malonate pH 5.0 mixed with 0.1M sodium acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |