5ZUS
P domain of GII.17-2014/15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.612, 87.151, 95.998 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.19597 |
| Rwork | 0.194 |
| R-free | 0.23389 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pun |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.244 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.121 | 0.397 |
| Number of reflections | 42553 | 1868 |
| <I/σ(I)> | 23.6 | 3 |
| Completeness [%] | 97.8 | 87.2 |
| Redundancy | 5.4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 11% (w/v) polyethylene glycol (PEG) 3350, 4%(v/v) Tacsimate (pH7.0) |
