Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97942 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.562, 102.746, 109.938 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.834 - 2.400 |
R-factor | 0.194207570392 |
Rwork | 0.192 |
R-free | 0.23289 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB structure 1AZZ and SP and CCP2 domains from pdb structure 1Q3X. |
RMSD bond length | 0.007 |
RMSD bond angle | 0.883 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmeas | 0.094 | 0.755 |
Number of reflections | 44699 | 5067 |
<I/σ(I)> | 13.5 | |
Completeness [%] | 99.7 | 75.9 |
Redundancy | 5.3 | 3.52 |
CC(1/2) | 0.998 | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 17% (w/v) PEG 3350, 0.3M LiCl |