Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.987 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 121.695, 128.024, 38.469 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.970 |
R-factor | 0.19833 |
Rwork | 0.197 |
R-free | 0.22758 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w97 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.582 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.040 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.090 | 0.320 |
Number of reflections | 21660 | |
<I/σ(I)> | 15.2 | 4.5 |
Completeness [%] | 99.7 | 100 |
Redundancy | 4.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 289 | 20% PEG 5000 MME, 100MM TRIS BIS PH 5.0, 0.05M AMMONIUM SULPHATE |