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 | 2014-11-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979065 |
Spacegroup name | P 31 |
Unit cell lengths | 119.464, 119.464, 93.067 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.937 - 3.200 |
R-factor | 0.2125 |
Rwork | 0.210 |
R-free | 0.25260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kmp |
RMSD bond length | 0.011 |
RMSD bond angle | 1.231 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.310 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.095 | 0.556 |
Rpim | 0.046 | 0.257 |
Number of reflections | 24244 | 2446 |
<I/σ(I)> | 22.11 | 4.55 |
Completeness [%] | 98.8 | 100 |
Redundancy | 5.5 | 5.7 |
CC(1/2) | 0.929 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M Bis-tris, pH 6.5, 0.2M LiNO3, 8% PEG 3350, 5% glycerol |