Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9176 |
Spacegroup name | H 3 2 |
Unit cell lengths | 187.608, 187.608, 151.363 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.079 - 1.850 |
R-factor | 0.186 |
Rwork | 0.185 |
R-free | 0.19920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f9t |
RMSD bond length | 0.011 |
RMSD bond angle | 0.776 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.690 | 47.690 | 1.880 |
High resolution limit [Å] | 1.850 | 9.790 | 1.850 |
Rmerge | 0.048 | 0.021 | 0.992 |
Rmeas | 0.052 | 0.024 | 1.087 |
Rpim | 0.020 | 0.010 | 0.433 |
Total number of observations | 549983 | 2636 | 29414 |
Number of reflections | 86307 | ||
<I/σ(I)> | 22.2 | 56.3 | 2 |
Completeness [%] | 99.7 | 89.1 | 100 |
Redundancy | 6.4 | 4.8 | 6.4 |
CC(1/2) | 1.000 | 0.999 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 1.2M sodium citrate, 0.1M HEPES |