6JNL
REF6 ZnF2-4-NAC004 complex
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 | 2016-04-18 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 89.160, 89.160, 72.603 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.150 |
| R-factor | 0.20701 |
| Rwork | 0.205 |
| R-free | 0.24923 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4r2s |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.963 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.053 | 0.590 |
| Number of reflections | 18924 | 1211 |
| <I/σ(I)> | 52.16 | |
| Completeness [%] | 99.9 | |
| Redundancy | 17.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG 3,350, 0.2 M NH4F |
