1YWD
1.08 A Structure of Ferrous NP4 (aquo complex)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-02-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.7510 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.063, 42.905, 52.272 |
| Unit cell angles | 90.00, 94.37, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.080 |
| R-factor | 0.141 |
| Rwork | 0.140 |
| R-free | 0.17000 |
| Structure solution method | starting model 1D2U |
| Starting model (for MR) | PDB ID 1D2U |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.035 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.120 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Number of reflections | 64299 | |
| <I/σ(I)> | 9.1 | 2 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 2.8 M ammonium phosphate, pH 7.5, VAPOR DIFFUSION, temperature 298K |
