Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.970, 59.550, 46.350 |
Unit cell angles | 90.00, 103.81, 90.00 |
Refinement procedure
Resolution | 34.221 - 1.961 |
R-factor | 0.1863 |
Rwork | 0.185 |
R-free | 0.21890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pvg |
RMSD bond length | 0.006 |
RMSD bond angle | 0.826 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.419 | 45.010 | 2.070 |
High resolution limit [Å] | 1.961 | 6.200 | 1.961 |
Rmerge | 0.033 | 0.384 | |
Rmeas | 0.083 | 0.040 | 0.456 |
Rpim | 0.044 | 0.022 | 0.243 |
Number of reflections | 27064 | 835 | 3928 |
<I/σ(I)> | 8.7 | 15.3 | 1.9 |
Completeness [%] | 99.2 | 92.1 | 99.5 |
Redundancy | 3.5 | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 293 | 0.1 M Tris-HCl, 10-20% PEG 4000, 0.2 M Na-acetate |