5VJU
De Novo Photosynthetic Reaction Center Protein Variant Equipped with His-Tyr H-bond, Heme B, and Cd(II) ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-07 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.485, 25.876, 73.708 |
Unit cell angles | 90.00, 103.64, 90.00 |
Refinement procedure
Resolution | 71.630 - 2.080 |
R-factor | 0.1869 |
Rwork | 0.183 |
R-free | 0.24340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.782 |
Data reduction software | XDS (VERSION Oct 15, 2015) |
Data scaling software | XSCALE (VERSION Oct 15, 2015 BUILT=20151015) |
Phasing software | MOLREP (11.4.03) |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 71.630 | 71.630 | 2.070 |
High resolution limit [Å] | 2.020 | 9.040 | 2.020 |
Rmerge | 0.051 | 0.039 | 0.101 |
Rmeas | 0.055 | 0.042 | 0.120 |
Number of reflections | 10744 | 141 | 562 |
<I/σ(I)> | 25.98 | 38.11 | 9.46 |
Completeness [%] | 97.3 | 96.6 | 71 |
Redundancy | 6.705 | 5.83 | 3.347 |
CC(1/2) | 0.999 | 0.999 | 0.983 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 24% w/v PEG 1500, 70 mM CdCl2, 100 mM Na acetate |