6IRE
Complex structure of INAD PDZ45 and NORPA CC-PBM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-01-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9780 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 117.946, 157.213, 60.986 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.705 - 3.250 |
R-factor | 0.2278 |
Rwork | 0.225 |
R-free | 0.27520 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.310 |
High resolution limit [Å] | 3.250 | 8.810 | 3.250 |
Rmerge | 0.083 | 0.024 | 0.854 |
Rmeas | 0.091 | 0.026 | 0.937 |
Rpim | 0.037 | 0.011 | 0.381 |
Total number of observations | 56563 | ||
Number of reflections | 9527 | 508 | 475 |
<I/σ(I)> | 8.4 | ||
Completeness [%] | 99.6 | 94.4 | 100 |
Redundancy | 5.9 | 5.3 | 5.9 |
CC(1/2) | 0.999 | 0.622 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 289 | 0.2M MgCl2, 0.1M TRIS pH 6.5, 25% w/v Polyethylene glycol 3350 |