5FIY
crystal structure of coiled coil domain of PAWR
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-04 |
| Detector | ADSC CCD |
| Wavelength(s) | 0.9770, 0.9794, 0.9795, 0.9825 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 114.990, 114.990, 121.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.809 - 3.000 |
| R-factor | 0.2502 |
| Rwork | 0.245 |
| R-free | 0.29440 |
| Structure solution method | MAD |
| Starting model (for MR) | BACKBONE MODEL FROM SHELXE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.810 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.820 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.080 | 0.290 |
| Number of reflections | 16918 | |
| <I/σ(I)> | 15.7 | 5.8 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 9 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.9 | 100 MM SODIUM CITRATE PH 5.9, 42% TERTIARY BUTANOL |
