6F4V
Crystal structure of cleaved Kallistatin complexed with heparin at 1.8 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-01-01 |
Detector | DECTRIS PILATUS3 R CdTe 300K |
Wavelength(s) | 1.1960 |
Spacegroup name | P 61 |
Unit cell lengths | 113.770, 113.770, 76.561 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 98.530 - 1.800 |
R-factor | 0.17343 |
Rwork | 0.172 |
R-free | 0.19636 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.458 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.880 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.061 | |
Number of reflections | 52290 | 3094 |
<I/σ(I)> | 15.3 | 1.5 |
Completeness [%] | 99.5 | 97.9 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% TERTBUTABOL |