3VOL
X-ray Crystal Structure of PAS-HAMP Aer2 in the CN-bound Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-23 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 83.020, 83.020, 107.760 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.904 - 2.399 |
| R-factor | 0.2253 |
| Rwork | 0.223 |
| R-free | 0.26770 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.008 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.399 | 2.400 |
| Rmerge | 0.048 | 0.569 |
| Number of reflections | 9116 | |
| <I/σ(I)> | 66.58 | 5.723 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.5 | 22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 1.6M ammonium sulfate, 0.1M Trizma/HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
