Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.987 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 154.824, 192.190, 333.219 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.923 - 2.801 |
R-factor | 0.2598 |
Rwork | 0.259 |
R-free | 0.28880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rvz |
RMSD bond length | 0.003 |
RMSD bond angle | 0.685 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.923 | 29.923 | 2.870 |
High resolution limit [Å] | 2.800 | 12.520 | 2.800 |
Rmerge | 0.145 | 0.028 | 5.576 |
Rmeas | 0.159 | 0.031 | 6.409 |
Total number of observations | 653278 | ||
Number of reflections | 114569 | 1469 | 6356 |
<I/σ(I)> | 11.09 | 44.91 | 0.31 |
Completeness [%] | 94.0 | 96.8 | 70.9 |
Redundancy | 5.702 | 5.332 | 3.821 |
CC(1/2) | 0.996 | 0.999 | 0.131 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 2.2 M ammonium sulfate, 100 mM Tris, 5% PEG400, pH 7.5 |