6OT8
Bimetallic hexameric cage design 4 (BMC4) from cytochrome cb562
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.33312 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 87.000, 87.000, 63.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.470 - 1.500 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.21810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.084 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.470 | 48.470 | 1.540 |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.053 | 0.033 | 1.936 |
Rmeas | 0.054 | 0.034 | 2.010 |
Rpim | 0.012 | ||
Number of reflections | 37652 | 484 | 1334 |
<I/σ(I)> | 26.6 | 68.06 | 1.23 |
Completeness [%] | 87.7 | 99.6 | 42.2 |
Redundancy | 19.51 | 19.878 | 13.792 |
CC(1/2) | 1.000 | 1.000 | 0.488 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Protein solution of: 2.2 mM protein with 1.05 mM Fe and 3 mM Zn premixed 1 hour prior to crystallisation. Drops were 1ul + 1 ul of protein solution and the following mother liquor: 30% PEG400, 0.1 M HEPES pH 7.5, 0.2 M MgCl2 |