6KWZ
Crystal structure of fragmin F3 domain with calcium ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AichiSR BEAMLINE BL2S1 |
Synchrotron site | AichiSR |
Beamline | BL2S1 |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2019-02-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.648, 55.076, 69.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.596 - 1.551 |
R-factor | 0.192 |
Rwork | 0.191 |
R-free | 0.21640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ffk |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.15_3459: ???) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.596 | 35.596 | 1.650 |
High resolution limit [Å] | 1.550 | 4.630 | 1.550 |
Rmerge | 0.083 | 0.023 | 1.312 |
Rmeas | 0.090 | 0.025 | 1.431 |
Total number of observations | 175682 | ||
Number of reflections | 26672 | 1107 | 4192 |
<I/σ(I)> | 15.02 | 60.4 | 1.56 |
Completeness [%] | 99.8 | 99.5 | 99.1 |
Redundancy | 6.587 | 6.665 | 6.061 |
CC(1/2) | 0.999 | 0.999 | 0.676 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM MES-NaOH (pH 6.0), 20% PEG 3350 |