4XA7
Soluble part of holo NqrC from V. harveyi
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 | 2014-03-17 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.560, 55.410, 46.550 |
| Unit cell angles | 90.00, 91.67, 90.00 |
Refinement procedure
| Resolution | 46.530 - 1.560 |
| R-factor | 0.2002 |
| Rwork | 0.199 |
| R-free | 0.22220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lwx |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.944 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.530 | 1.600 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.070 | 1.620 |
| Number of reflections | 27755 | |
| <I/σ(I)> | 9.6 | 0.63 |
| Completeness [%] | 96.6 | 74.2 |
| Redundancy | 4.1 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1 M K thiocyanate, 20-30%(w/v) PEG MME 2000 |
