3F5N
Structure of native human neuroserpin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-11-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 171.796, 179.176, 248.263 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.980 - 3.150 |
| R-factor | 0.23655 |
| Rwork | 0.234 |
| R-free | 0.28315 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jjo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.418 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.320 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.129 | 0.834 |
| Number of reflections | 66051 | |
| <I/σ(I)> | 10.3 | 1.9 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | Ammonium sulphate, Na cacodylate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
