5Z4Z
Crystal structure of PaCysB NTD domain with space group C2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9725 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.084, 53.222, 57.456 |
| Unit cell angles | 90.00, 91.66, 90.00 |
Refinement procedure
| Resolution | 29.444 - 2.053 |
| R-factor | 0.1979 |
| Rwork | 0.195 |
| R-free | 0.24240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ixc |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.807 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.376 | |
| Number of reflections | 18944 | |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 94.2 | 88 |
| Redundancy | 4.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.5 | 10% 2-propanol,0.1M sodium phosphate/citric acid PH4.2 0.2M lithium sulfate |
