2DBB
Crystal structure of PH0061
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-29 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.97900, 0.97929, 0.964 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 46.330, 118.810, 132.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| Rwork | 0.198 |
| R-free | 0.23400 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 24083 | |
| <I/σ(I)> | 14.74 | 3.3 |
| Completeness [%] | 95.2 | 70.4 |
| Redundancy | 5.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.2M Sodium citrate, 0.5% Ethyl Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
