4QHN
I2 (unbound) from CH103 Lineage
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97925 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.878, 66.955, 128.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.420 - 3.000 |
R-factor | 0.2279 |
Rwork | 0.226 |
R-free | 0.27180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jan |
RMSD bond length | 0.004 |
RMSD bond angle | 0.986 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.050 |
High resolution limit [Å] | 3.000 | 8.130 | 3.000 |
Rmerge | 0.105 | 0.038 | 0.806 |
Number of reflections | 10153 | ||
<I/σ(I)> | 7.4 | ||
Completeness [%] | 97.6 | 98 | 97.5 |
Redundancy | 2.3 | 2.3 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 100 mM CHES, pH 9.0, 1 M sodium chloride, 20% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |