4DI0
The structure of Rubrerythrin from Burkholderia pseudomallei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-16 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.580, 56.470, 99.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.680 - 1.900 |
| R-factor | 0.1707 |
| Rwork | 0.169 |
| R-free | 0.19950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j30 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.269 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.054 | 0.029 | 0.546 |
| Number of reflections | 22862 | 301 | 1618 |
| <I/σ(I)> | 29.81 | 77.16 | 3.75 |
| Completeness [%] | 99.2 | 98.4 | 95.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | BupsA.17633.a at 29.52 mg/ml, 16% PEG8000, 20% glycerol, 40mM potassium phosphate. Additional ethylene glycol as cryoprotectant, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
