2NYA
Crystal structure of the periplasmic nitrate reductase (NAP) from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.449, 94.596, 131.211 |
| Unit cell angles | 90.00, 96.34, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.18435 |
| Rwork | 0.181 |
| R-free | 0.24314 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nap |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.631 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 65.230 | 2.640 |
| High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
| Rmerge | 0.108 | 0.055 | 0.365 |
| Number of reflections | 56852 | ||
| <I/σ(I)> | 5.4 | 10 | 1.4 |
| Completeness [%] | 97.3 | 93.5 | 97.8 |
| Redundancy | 2.5 | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 294 | 20% PEG 4000, 10% 2-propanol, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
