Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-09-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.148 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 438.230, 289.330, 305.470 |
Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
Resolution | 190.477 - 3.250 |
R-factor | 0.2533 |
Rwork | 0.252 |
R-free | 0.30090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4v88 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.024 |
Data scaling software | XSCALE |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 190.477 | 3.300 | |
High resolution limit [Å] | 3.250 | 175.000 | 3.250 |
Rmerge | 0.411 | 1.530 | 2.179 |
Rmeas | 0.434 | 1.688 | 2.356 |
Total number of observations | 9652670 | ||
Number of reflections | 1176614 | 3 | 52321 |
<I/σ(I)> | 6.38 | 1.16 | 0.98 |
Completeness [%] | 100.0 | 30 | 100 |
Redundancy | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277.15 | Tris-acetate pH7.0, potassium thiocyanate, magnesium acetate, glycerol, spermidine, PEG 20000 |