6IEV
Crystal structure of a designed protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-05-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 124.855, 124.855, 58.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.143 - 2.250 |
R-factor | 0.1947 |
Rwork | 0.193 |
R-free | 0.23140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r26 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.539 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 124.860 | 2.310 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.118 | 0.663 |
Rmeas | 0.120 | 0.675 |
Rpim | 0.023 | 0.125 |
Number of reflections | 22476 | 1628 |
<I/σ(I)> | 21.8 | 6.9 |
Completeness [%] | 99.8 | 100 |
Redundancy | 27.5 | 28.9 |
CC(1/2) | 0.999 | 0.977 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289 | 0.2M Potassium sodium tartrate, 0.1M Sodium citrate pH5.6, 2.0MAmmonium sulfate |