6XHH
Far-red absorbing dark state of JSC1_58120g3 with bound 18-1, 18-2 dihydrobiliverdin IXa (DHBV), the native chromophore precursor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 32.286, 35.814, 74.875 |
| Unit cell angles | 100.19, 95.37, 89.86 |
Refinement procedure
| Resolution | 30.521 - 1.500 |
| R-factor | 0.1963 |
| Rwork | 0.194 |
| R-free | 0.23130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w2z |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.004 |
| Data reduction software | Aimless (0.7.1) |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.14-3260-000) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.680 | 36.680 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.052 | 0.020 | 0.570 |
| Rmeas | 0.060 | 0.023 | 0.662 |
| Rpim | 0.031 | 0.012 | 0.336 |
| Total number of observations | 169907 | 1212 | 4785 |
| Number of reflections | 44374 | 315 | 1265 |
| <I/σ(I)> | 13.8 | 44.1 | 2.2 |
| Completeness [%] | 84.3 | 98.1 | 48.9 |
| Redundancy | 3.8 | 3.8 | 3.8 |
| CC(1/2) | 0.999 | 1.000 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.25 M Ammonium Citrate, 25% (v/v) PEG 3350 |
