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 |
