2IBL
Crystal structure of a helper molecule (HT-mf-thromb) based on mini-fibritin (mf) crystal structure (pdb:1OX3).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-30 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.00465 |
Spacegroup name | P 63 |
Unit cell lengths | 53.677, 53.677, 106.458 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.000 - 1.320 |
R-factor | 0.161 |
Rwork | 0.160 |
R-free | 0.17000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ox3 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.012 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.354 |
High resolution limit [Å] | 1.320 | 1.320 |
Rmerge | 0.056 | 0.216 |
Number of reflections | 40028 | |
<I/σ(I)> | 31.7 | 5.2 |
Completeness [%] | 98.1 | 89.71 |
Redundancy | 6.6 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 293 | 30% PEG 400, 0.1 M TrisHCl, 0.2 M magnesium chloride, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |