4QHM
I3.1 (unbound) from CH103 Lineage
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 132.311, 132.311, 209.586 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.036 - 3.230 |
| R-factor | 0.2258 |
| Rwork | 0.224 |
| R-free | 0.25070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jan |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.978 |
| 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 | 3.290 |
| High resolution limit [Å] | 3.230 | 8.750 | 3.230 |
| Rmerge | 0.114 | 0.039 | 0.650 |
| Number of reflections | 33930 | ||
| <I/σ(I)> | 5.7 | ||
| Completeness [%] | 98.9 | 100 | 97.6 |
| Redundancy | 1.9 | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 100 mM sodium acetate, pH 5.0, 2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
