5VJT
De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) cations
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-20 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0781 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 43.747, 43.747, 245.522 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.210 - 1.450 |
R-factor | 0.2034 |
Rwork | 0.202 |
R-free | 0.23560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.031 |
RMSD bond angle | 2.236 |
Data reduction software | XDS (VERSION March 30, 2013) |
Data scaling software | XSCALE (VERSION July 4, 2012 BUILT=20130706) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.210 | 41.210 | 1.490 |
High resolution limit [Å] | 1.450 | 6.490 | 1.450 |
Rmerge | 0.099 | 0.026 | 1.337 |
Rmeas | 0.105 | 0.028 | 1.484 |
Number of reflections | 43568 | 605 | 3025 |
<I/σ(I)> | 15.3 | 59.81 | 1.26 |
Completeness [%] | 99.7 | 98.5 | 96.1 |
Redundancy | 8.779 | 6.929 | 5.225 |
CC(1/2) | 0.999 | 1.000 | 0.684 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 2.7 M NaCl, 100 mM Na acetate |