6OT9
Bimetallic dodecameric cage design 1 (BMC1) from cytochrome cb562
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98008 |
Spacegroup name | H 3 2 |
Unit cell lengths | 125.640, 125.640, 166.350 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.270 - 2.400 |
R-factor | 0.2228 |
Rwork | 0.217 |
R-free | 0.27180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3m4b |
RMSD bond length | 0.009 |
RMSD bond angle | 1.036 |
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] | 39.920 | 39.920 | 2.460 |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.185 | 0.073 | 2.986 |
Rmeas | 0.195 | 0.077 | 3.146 |
Rpim | 0.061 | ||
Number of reflections | 38245 | 427 | 2875 |
<I/σ(I)> | 8.1 | 27.71 | 0.96 |
Completeness [%] | 99.8 | 97.3 | 100 |
Redundancy | 10.29 | 9.44 | 10.072 |
CC(1/2) | 0.998 | 0.997 | 0.501 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Protein solution: 2.1 mM protein, 1.05 mM Fe, 2 mM Zn added 1 hour prior to crystallisation. 1 ul + 1ul drops from protein solution and following mother liquor; 22.5% PEG400, 0.1 M HEPES pH 7.5, 0.2 M NaCl |