6F4U
Crystal structure of reactive loop cleaved kallistatin at 1.9 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-01-01 |
| Detector | DECTRIS PILATUS3 X CdTe 1M |
| Wavelength(s) | 1.196 |
| Spacegroup name | P 61 |
| Unit cell lengths | 113.510, 113.510, 76.172 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 98.500 - 1.900 |
| R-factor | 0.16848 |
| Rwork | 0.167 |
| R-free | 0.19526 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.394 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.670 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.043 | 0.326 |
| Number of reflections | 44414 | 6433 |
| <I/σ(I)> | 14 | 2.5 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% tertbutanal |
