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 | 2011-10-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97916 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 129.021, 121.557, 195.541 |
Unit cell angles | 90.00, 89.79, 90.00 |
Refinement procedure
Resolution | 50.000 - 3.000 |
R-factor | 0.2032 |
Rwork | 0.200 |
R-free | 0.26230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iqh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.474 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.110 |
High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
Rmerge | 0.086 | 0.033 | 0.557 |
Number of reflections | 55848 | ||
<I/σ(I)> | 9.7 | ||
Completeness [%] | 92.3 | 90.8 | 94.6 |
Redundancy | 3.3 | 3.2 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 291.15 | 0.1 M sodium acetate, 0.05 M magnesium acetate, 0.1 M MES, 7% PEG8000 |