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 |