5OXB
Structure of blue-light irradiated Cerulean
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.953725 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.060, 62.660, 69.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.480 - 1.380 |
| R-factor | 0.12927 |
| Rwork | 0.128 |
| R-free | 0.15683 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wso |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.754 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.480 | 1.420 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmeas | 0.054 | 0.883 |
| Number of reflections | 46320 | 10097 |
| <I/σ(I)> | 21.7 | 2.15 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.07 | 6.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100mM HEPES pH 7.0, 12% PEG8000, 100mM MgCl2 |
