6ZR3
Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1 with N-acetyl-galactosamine-4-sulfate ligand bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-26 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.920 |
Spacegroup name | P 4 |
Unit cell lengths | 119.019, 119.019, 44.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.280 - 1.970 |
R-factor | 0.1862 |
Rwork | 0.184 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 4M7H |
RMSD bond length | 0.005 |
RMSD bond angle | 1.351 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.31) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.280 | 53.230 | 2.020 |
High resolution limit [Å] | 1.970 | 9.030 | 1.970 |
Rmerge | 0.102 | 0.035 | 0.270 |
Rmeas | 0.118 | 0.039 | 0.322 |
Rpim | 0.056 | 0.017 | 0.172 |
Total number of observations | 2089 | 9650 | |
Number of reflections | 42961 | 459 | 3088 |
<I/σ(I)> | 7.5 | 14.2 | 3 |
Completeness [%] | 97.3 | 93.9 | 98.1 |
Redundancy | 3.9 | 4.6 | 3.1 |
CC(1/2) | 0.976 | 0.998 | 0.888 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.7 M Ammonium Sulphate, 8% Dioxane, 0.1 M MES pH 6.5 |