4KLY
Crystal structure of a blue-light absorbing proteorhodopsin mutant D97N from HOT75
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Collection date | 2011-04-01 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 162.100, 168.800, 65.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.870 - 2.700 |
R-factor | 0.21181 |
Rwork | 0.209 |
R-free | 0.26081 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.662 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXS |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.970 |
High resolution limit [Å] | 2.720 | 2.720 |
Rmerge | 0.227 | 3.116 |
Number of reflections | 48838 | |
<I/σ(I)> | 8.07 | 1.03 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 10.9 | 11.18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 20 mg/mL protein plus 1-2% Tween 80 in a 1:1 ratio with reservoir solution (0.2 M ammonium acetate, 0.1 M bis-tris pH 6.5, 44-49% [w/v] MPD), VAPOR DIFFUSION, HANGING DROP, temperature 295K |