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 |