3F02
Cleaved human neuroserpin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-07-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.928, 100.066, 115.825 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.720 - 1.800 |
| R-factor | 0.19322 |
| Rwork | 0.191 |
| R-free | 0.23511 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jjo |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.474 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.105 | 0.790 |
| Number of reflections | 78887 | |
| <I/σ(I)> | 13 | 2 |
| Completeness [%] | 99.6 | 97.3 |
| Redundancy | 7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | Ammonium sulphate, Na acetate, PEG MME 2000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
