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 | 2011-01-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 80.466, 80.466, 124.929 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.510 - 3.000 |
R-factor | 0.22564 |
Rwork | 0.219 |
R-free | 0.28802 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kdh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.493 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.690 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.134 | 0.521 |
Number of reflections | 9652 | |
<I/σ(I)> | 12.7 | 3.2 |
Completeness [%] | 98.2 | 99.4 |
Redundancy | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 25% PEG 3350, 0.1M BIS-TRIS PH 6.5, 0.2M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 295K |