3TKR
Crystal structure of full-length human peroxiredoxin 4 with T118E mutation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9998 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.710, 139.117, 178.970 |
Unit cell angles | 90.00, 96.32, 90.00 |
Refinement procedure
Resolution | 46.004 - 2.100 |
R-factor | 0.1516 |
Rwork | 0.150 |
R-free | 0.17820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pn8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.048 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.054 | 0.035 | 0.183 |
Number of reflections | 171228 | ||
<I/σ(I)> | 12.1 | ||
Completeness [%] | 98.2 | 99.9 | 83.8 |
Redundancy | 3.8 | 3.8 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 290 | 0.8M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, 5mM DTT, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K |