7BVV
Crystal structure of sulfonic peroxiredoxin Ahp1 in complex with thioredoxin Trx2
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 | 2011-11-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.500, 132.800, 76.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.525 - 2.120 |
| Rwork | 0.211 |
| R-free | 0.24390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dss |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.413 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.087 | 0.493 |
| Rmeas | 0.094 | 0.530 |
| Rpim | 0.035 | 0.195 |
| Number of reflections | 16850 | 2424 |
| <I/σ(I)> | 14.8 | 4.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.3 |
| CC(1/2) | 0.998 | 0.904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 25% polyethylene glycol 3,350, 0.2 M lithium sulfate, 0.1 M HEPES-NaOH, pH 7.5 |
