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 |
