4WMQ
Structure of Human Intelectin-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-31 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97924 |
Spacegroup name | P 21 3 |
Unit cell lengths | 118.450, 118.450, 118.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.996 - 1.800 |
R-factor | 0.1346 |
Rwork | 0.133 |
R-free | 0.16390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wmo |
RMSD bond length | 0.010 |
RMSD bond angle | 1.107 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 22.200 | 22.200 | 1.860 |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.119 | 0.062 | 0.495 |
Rmeas | 0.125 | 0.065 | 0.521 |
Rpim | 0.037 | 0.020 | 0.162 |
Total number of observations | 573173 | ||
Number of reflections | 51379 | ||
<I/σ(I)> | 5.8 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 11.2 | 11 | 10.1 |
CC(1/2) | 0.997 | 0.926 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 100 mM Bis-Tris, 25% PEG 3350 |