4H1T
X-RAY Structure of the Complex VchUPh with Phosphate ion at 1.92A Resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-11 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.81 |
Spacegroup name | P 1 |
Unit cell lengths | 63.691, 71.080, 87.937 |
Unit cell angles | 69.62, 72.56, 85.74 |
Refinement procedure
Resolution | 26.272 - 1.924 |
R-factor | 0.1791 |
Rwork | 0.177 |
R-free | 0.21710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o6v |
RMSD bond length | 0.008 |
RMSD bond angle | 0.843 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.817 | 29.362 | 2.030 |
High resolution limit [Å] | 1.924 | 6.080 | 1.920 |
Rmerge | 0.016 | 0.111 | |
Total number of observations | 12796 | 54208 | |
Number of reflections | 102754 | ||
<I/σ(I)> | 30 | 36.7 | 7 |
Completeness [%] | 98.3 | 98.3 | 96.3 |
Redundancy | 3.9 | 3.9 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 0.1 M Ammonium sulfate 0.5 M di-Sodium phosphate 0.5 M di-Potassium phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |