4PIH
X-ray crystal structure of the K33S mutant of ubiquitin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-13 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 |
Unit cell lengths | 27.350, 32.740, 40.340 |
Unit cell angles | 69.77, 72.55, 73.12 |
Refinement procedure
Resolution | 23.245 - 1.500 |
R-factor | 0.1676 |
Rwork | 0.165 |
R-free | 0.19010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h7p |
RMSD bond length | 0.010 |
RMSD bond angle | 1.215 |
Data reduction software | XDS |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 23.245 | 1.540 | |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.115 | 0.092 | 0.090 |
Rmeas | 0.129 | 0.106 | 0.108 |
Total number of observations | 82699 | ||
Number of reflections | 19305 | 164 | 1350 |
<I/σ(I)> | 8.68 | 9.96 | 5.88 |
Completeness [%] | 98.1 | 75.2 | 93.7 |
Redundancy | 4.3 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2M CaCl2, 0.1 M TRIS, 25% PEG 4000 |