7JGP
Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate at 318K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 318 |
Detector technology | CCD |
Collection date | 2019-08-22 |
Detector | APEX II CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 154.100, 154.100, 154.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.910 - 6.420 |
R-factor | 0.2532 |
Rwork | 0.247 |
R-free | 0.30170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cmq |
RMSD bond length | 0.001 |
RMSD bond angle | 0.304 |
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] | 62.910 | 6.650 |
High resolution limit [Å] | 6.420 | 6.420 |
Number of reflections | 1225 | 117 |
<I/σ(I)> | 14.3 | |
Completeness [%] | 99.6 | |
Redundancy | 17.8 | |
CC(1/2) | 0.998 | 0.827 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | Reservoir: 500 uL total volume: 50 mM CHES (pH 9.5), 150 mM NaCl, 0.474 mM NiCl2, 12.6% PEP Sitting Drop: 7.6 uL reservoir, 2 uL of 25 uM ferritin, 2.4 uL of 5 mM H2fdh in 50 mM CHES (pH 9.5) with 150 mM NaCl |