7F0N
Structure of deamidated Ubiquitin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 2019-02-27 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 48.010, 39.060, 35.290 |
Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
Resolution | 35.240 - 1.600 |
R-factor | 0.1384 |
Rwork | 0.136 |
R-free | 0.18150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ubq |
RMSD bond length | 0.027 |
RMSD bond angle | 2.658 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.240 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.036 | 0.087 |
Rmeas | 0.039 | 0.097 |
Rpim | 0.015 | 0.042 |
Total number of observations | 60413 | |
Number of reflections | 8673 | 415 |
<I/σ(I)> | 32.8 | |
Completeness [%] | 99.5 | 93.3 |
Redundancy | 7 | 5.1 |
CC(1/2) | 0.999 | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 0.1M Sodium Acetate Trihydrate pH 4.5, 25% PEG. 3350 |