Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.7 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 34.082, 144.729, 96.767 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.840 - 2.160 |
R-factor | 0.2223 |
Rwork | 0.219 |
R-free | 0.29690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lus |
RMSD bond length | 0.002 |
RMSD bond angle | 0.397 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.840 | 2.237 |
High resolution limit [Å] | 2.160 | 2.160 |
Rmerge | 0.082 | 0.184 |
Number of reflections | 12345 | |
<I/σ(I)> | 19.63 | 7.06 |
Completeness [%] | 92.6 | 99 |
Redundancy | 5.6 | 5.6 |
CC(1/2) | 0.996 | 0.988 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | Tris-HCl 0.1M pH8.5 PEG 1500 26% Glycerol 16% |