5DK8
Human ubiquitin in the P1 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-26 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 |
Unit cell lengths | 29.961, 30.182, 41.414 |
Unit cell angles | 88.52, 79.12, 67.37 |
Refinement procedure
Resolution | 27.820 - 1.320 |
R-factor | 0.1796 |
Rwork | 0.178 |
R-free | 0.20110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pih |
RMSD bond length | 0.009 |
RMSD bond angle | 1.217 |
Data reduction software | autoPROC |
Data scaling software | Aimless (0.1.30) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.820 | 27.820 | 1.340 |
High resolution limit [Å] | 1.320 | 7.230 | 1.320 |
Rmerge | 0.064 | 0.040 | 0.385 |
Rpim | 0.064 | 0.040 | 0.385 |
Total number of observations | 48369 | 338 | 2300 |
Number of reflections | 28712 | ||
<I/σ(I)> | 5.8 | 9.9 | 2.1 |
Completeness [%] | 93.0 | 93.7 | 88.6 |
Redundancy | 1.7 | 1.9 | 1.7 |
CC(1/2) | 0.991 | 0.993 | 0.562 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 288 | 0.2M magnesium chloride hexahydrate, 30% w/v PEG 4000, 0.1 M Tris pH 8.5 |