Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 56.640, 56.640, 195.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.310 - 1.600 |
R-factor | 0.20639 |
Rwork | 0.206 |
R-free | 0.21724 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hin |
RMSD bond length | 0.011 |
RMSD bond angle | 1.871 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.700 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.066 | 2.800 |
Rpim | 0.019 | 1.700 |
Number of reflections | 42733 | 1762 |
<I/σ(I)> | 13.2 | 6.7 |
Completeness [%] | 98.7 | 85.3 |
Redundancy | 12.7 | 4.3 |
CC(1/2) | 1.000 | 0.214 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.4 M ammonium phosphate monobasic |