4PCK
Crystal structure of the P22S mutant of N-terminal CS domain of human Shq1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97920 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 58.690, 58.690, 146.830 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.827 - 2.401 |
R-factor | 0.2303 |
Rwork | 0.225 |
R-free | 0.28360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pbd |
RMSD bond length | 0.007 |
RMSD bond angle | 1.144 |
Data reduction software | XDS |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.830 | 2.460 | |
High resolution limit [Å] | 2.400 | 10.740 | 2.400 |
Rmerge | 0.053 | 0.019 | 0.605 |
Rmeas | 0.059 | 0.022 | 0.680 |
Total number of observations | 57944 | ||
Number of reflections | 11757 | 156 | 878 |
<I/σ(I)> | 19.07 | 61.04 | 2.53 |
Completeness [%] | 97.5 | 90.2 | 98.3 |
Redundancy | 4.92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1 M HEPES, 0.02 M magnesium chloride hexahydrate, 22% w/v Poly(acrylic acid sodium salt) 5100, 15% v/v glycerol |