6TYJ
Crystal structure of zinc-bound Hemerythrin HHE cation binding domain-containing protein (soak): Rv2633c homolog from Mycobacterium kansasii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-07-25 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 52.230, 52.230, 104.650 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.230 - 1.600 |
R-factor | 0.1802 |
Rwork | 0.177 |
R-free | 0.20760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pie apo structure |
RMSD bond length | 0.008 |
RMSD bond angle | 0.895 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.050 | 0.035 | 0.558 |
Rmeas | 0.052 | 0.038 | 0.605 |
Number of reflections | 22570 | 312 | 1653 |
<I/σ(I)> | 24.28 | 48.96 | 3.19 |
Completeness [%] | 100.0 | 98.4 | 100 |
Redundancy | 10.2 | 7.981 | 6.693 |
CC(1/2) | 0.999 | 0.998 | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | Optimization screen around condition MCSG1-H6, well C1: 3.0M sodium formate, 100mM Sodium acetate / HCl pH 4.43: MykaA.20209.a.B11.PB00104 at 22mg/ml, iron-containing red protein: O/N soak with 5mM ZnCl2: cryo: direct: tray 311000c1: puck ydb7-6 |