5HSQ
The surface engineered photosensory module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) in the Pr form, chromophore modelled with an endocyclic double bond in pyrrole ring A.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0718 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 69.348, 69.348, 236.839 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.310 - 1.850 |
R-factor | 0.18474 |
Rwork | 0.183 |
R-free | 0.22371 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2)9C 2VEA (PHY domain) |
RMSD bond length | 0.020 |
RMSD bond angle | 2.048 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.670 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.048 | 0.560 |
Number of reflections | 49518 | |
<I/σ(I)> | 18.2 | 2.8 |
Completeness [%] | 98.6 | 99.8 |
Redundancy | 4.8 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.03 M diethyleneglycol, 0.03 M triethyleneglycol, 0.03 M tetraethyleneglycol, 0.03 M pentaethyleneglycol, 20% glycerol, 10% PEG8000, 0.05 M MES, 0.05 M imidazole pH 6.5 |