3FGQ
Crystal structure of native human neuroserpin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-09 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.017, 51.953, 80.316 |
| Unit cell angles | 90.09, 90.05, 97.12 |
Refinement procedure
| Resolution | 45.662 - 2.090 |
| R-factor | 0.176 |
| Rwork | 0.173 |
| R-free | 0.22580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b3k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.307 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.090 | 2.100 |
| Rmerge | 0.052 | 0.368 |
| Number of reflections | 41751 | |
| <I/σ(I)> | 24 | 1.9 |
| Completeness [%] | 96.4 | 91.4 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG 4000, 20% iso-propanol, 0.1M sodium citrate buffer , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
