5TU4
PagF with Boc-Tyr and DMSPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-03 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97872 |
Spacegroup name | P 65 |
Unit cell lengths | 116.442, 116.442, 43.682 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.120 - 2.100 |
R-factor | 0.187 |
Rwork | 0.184 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.936 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.083 | 0.673 |
Number of reflections | 114490 | |
<I/σ(I)> | 16.5 | |
Completeness [%] | 97.0 | |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 280 | 20-25% PEG 3350 20 mM Tris-HCl, pH=7.5 200 mM NaCl |