6LDF
Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96K AB5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 53.748, 53.748, 253.813 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.620 - 2.350 |
R-factor | 0.1767 |
Rwork | 0.173 |
R-free | 0.24530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qi5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.609 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.620 | 2.390 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 9893 | 470 |
<I/σ(I)> | 95.02 | |
Completeness [%] | 99.7 | |
Redundancy | 39.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 45% (+/-)-2-methyl-2,4-pentanediol (MPD), 100 mM bis-tris, 200 mM sodium chloride |