6KSV
Crystal structure of SurE with D-Leu
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 277 |
Detector technology | PIXEL |
Collection date | 2019-02-18 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.370, 152.060, 64.540 |
Unit cell angles | 90.00, 113.08, 90.00 |
Refinement procedure
Resolution | 45.086 - 2.420 |
R-factor | 0.2039 |
Rwork | 0.200 |
R-free | 0.27880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ksu |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.570 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.076 | 0.507 |
Number of reflections | 32476 | 5134 |
<I/σ(I)> | 11.41 | 2.44 |
Completeness [%] | 99.2 | 97.7 |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.997 | 0.839 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | ammonium sulfate, Yttrium Chloride, TCEP |