3TKP
Crystal structure of full-length human peroxiredoxin 4 in the reduced form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-18 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9998 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 183.149, 141.120, 61.295 |
Unit cell angles | 90.00, 103.08, 90.00 |
Refinement procedure
Resolution | 45.120 - 2.490 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pn8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.151 |
Data reduction software | DENZO |
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 | 2.590 |
High resolution limit [Å] | 2.480 | 5.380 | 2.490 |
Rmerge | 0.054 | 0.035 | 0.300 |
Number of reflections | 52328 | ||
<I/σ(I)> | 17 | 2.5 | |
Completeness [%] | 98.9 | 95.8 | 99.8 |
Redundancy | 2.5 | 2.5 | 2.4 |
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 |