7JGO
Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate collected at 278K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 278 |
Detector technology | CCD |
Collection date | 2019-09-06 |
Detector | APEX II CCD |
Wavelength(s) | 1.54178 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 156.082, 156.082, 156.082 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.360 - 3.080 |
R-factor | 0.2127 |
Rwork | 0.209 |
R-free | 0.24820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cmq |
RMSD bond length | 0.005 |
RMSD bond angle | 0.759 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.360 | 3.190 |
High resolution limit [Å] | 3.080 | 3.080 |
Number of reflections | 11398 | 1026 |
<I/σ(I)> | 9.8 | |
Completeness [%] | 100.0 | |
Redundancy | 18.4 | |
CC(1/2) | 0.996 | 0.899 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 298 | Reservoir: 500 uL total volume: 50 mM CHES (pH 9.5), 150 mM NaCl, 0.474 mM NiCl2, 12.6% PEP Sitting Drop: 12.7 uL reservoir, 3.3 uL of 25 uM ferritin, 4 uL of 10 mM fdh in 50 mM CHES (pH 9.5) with 150 mM NaCl |