3QHB
Crystal structure of oxidized Symerythrin from Cyanophora paradoxa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-23 |
| Detector | ADSC Q315R |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 32 |
| Unit cell lengths | 81.593, 81.593, 46.277 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.600 - 1.200 |
| R-factor | 0.10188 |
| Rwork | 0.101 |
| R-free | 0.12453 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ryt |
| RMSD bond length | 0.019 |
| RMSD bond angle | 3.625 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.18) |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.600 | 1.250 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.079 | 0.335 |
| Number of reflections | 107444 | |
| <I/σ(I)> | 23.4 | 6.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 17.8 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 5.5 | 279 | PEG3350, NH4Cl, BisTris, pH 5.5, hanging drop, temperature 279K |
