4QHL
I3.2 (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 | 2013-03-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97927 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.078, 99.135, 163.318 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.568 - 3.153 |
| R-factor | 0.2389 |
| Rwork | 0.237 |
| R-free | 0.28150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jan |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.787 |
| 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 | 3.200 |
| High resolution limit [Å] | 3.150 | 8.540 | 3.150 |
| Rmerge | 0.123 | 0.035 | 0.386 |
| Number of reflections | 20709 | ||
| <I/σ(I)> | 6.2 | ||
| Completeness [%] | 99.0 | 99.8 | 98.1 |
| Redundancy | 2.2 | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM HEPES, pH 7.0, 2 M ammonium sulfate, 5% PEG400, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
