5XMM
FLA-E*01801-167W/S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.120, 82.640, 121.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.900 |
| R-factor | 0.22226 |
| Rwork | 0.221 |
| R-free | 0.24996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pwv |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.077 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.568 | 0.568 |
| Number of reflections | 8745 | |
| <I/σ(I)> | 7.31 | 7.3 |
| Completeness [%] | 83.8 | 83.8 |
| Redundancy | 6.8 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG/Ion 2; No.28 (0.2M sodium formate and 20%w/v) polyethylene glycol 3,350), 277 K, pH 7.0 |
