5X4I
Pyrococcus furiosus RecJ (D83A, Mn-soaking)
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 | 2014-05-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.576, 67.151, 60.274 |
| Unit cell angles | 90.00, 112.39, 90.00 |
Refinement procedure
| Resolution | 49.357 - 2.092 |
| R-factor | 0.1754 |
| Rwork | 0.174 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x4j |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.473 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.092 | 2.100 |
| Number of reflections | 37590 | |
| <I/σ(I)> | 23.5 | 10.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 291 | 4.3% w/v PEG 2000 MME, 50 mM Bicine pH 8.8, 28.6% w/v PEG 600 |
