1ML7
Crystal structure of nitrophorin 4 complexed with 4-iodopyrazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-05-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.080 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.404, 42.763, 52.769 |
| Unit cell angles | 90.00, 94.05, 90.00 |
Refinement procedure
| Resolution | 20.400 - 1.250 |
| R-factor | 0.145 |
| Rwork | 0.142 |
| R-free | 0.19400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ikj |
| RMSD bond length | 0.011 * |
| RMSD bond angle | 2.170 * |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear ((MSC/RIGAKU)) |
| Phasing software | SHELXS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.000 * | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.050 | 0.160 * |
| Total number of observations | 219394 * | |
| Number of reflections | 42458 | |
| <I/σ(I)> | 21.7 | 7.2 |
| Completeness [%] | 98.0 * | 92 |
| Redundancy | 5.1 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | ammonium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP at 298K, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium phosphate | 2.8 (M) | |
| 2 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.5 |
