7WVD
Crystal structure of H14 complexed with SIA28
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-05 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.662, 120.990, 129.759 |
| Unit cell angles | 90.00, 107.73, 90.00 |
Refinement procedure
| Resolution | 49.720 - 3.390 |
| R-factor | 0.2232 |
| Rwork | 0.221 |
| R-free | 0.26140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eyj |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.585 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.520 |
| High resolution limit [Å] | 3.390 | 3.400 |
| Number of reflections | 36855 | 3591 |
| <I/σ(I)> | 5.6 | |
| Completeness [%] | 98.6 | |
| Redundancy | 5.4 | |
| CC(1/2) | 0.963 | 0.509 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Tris 5 % w/v PGA-LM 20 % w/v PEG 3350 |
