5BRO
Crystal structure of modified HexB (modB)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-18 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 126.470, 126.470, 88.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.400 |
| R-factor | 0.19009 |
| Rwork | 0.187 |
| R-free | 0.24014 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.610 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.143 | 0.698 |
| Number of reflections | 28619 | |
| <I/σ(I)> | 12.3 | 2.6 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 12 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 288 | 0.2 M Sodium Formate, 20% PEG 3350 |
