6CWZ
Crystal structure of apo SUMO E1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-13 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.08 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.139, 115.378, 172.973 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.992 - 3.100 |
R-factor | 0.2282 |
Rwork | 0.225 |
R-free | 0.25820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kyc |
RMSD bond length | 0.002 |
RMSD bond angle | 0.439 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.210 |
High resolution limit [Å] | 3.100 | 6.670 | 3.100 |
Rmerge | 0.114 | 0.046 | 0.985 |
Rmeas | 0.127 | 0.051 | 1.109 |
Rpim | 0.054 | 0.022 | 0.498 |
Number of reflections | 21123 | 2289 | 2005 |
<I/σ(I)> | 4.7 | ||
Completeness [%] | 99.5 | 99.3 | 96.9 |
Redundancy | 5.4 | 5.1 | 4.7 |
CC(1/2) | 0.997 | 0.645 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 288 | 0.2M ammonium sulfate, 0.1M Bis-Tris HCl pH 6.5, 20% PEG3350 |