4N4N
Nitrosomonas europea HAO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 140.720, 141.970, 106.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.400 - 2.200 |
| R-factor | 0.18246 |
| Rwork | 0.179 |
| R-free | 0.21273 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fgj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.025 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.400 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.102 | 0.588 |
| Number of reflections | 98124 | |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 99.5 | 99.3 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH UNDER OIL | 7.5 | 293 | 42% v/v PEG400, 50 mM potassium nitrate, 100 mM MES/NaOH, pH 7.5, MICROBATCH UNDER OIL, temperature 293K |
