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 |
