2XRH
Crystal structure of the truncated form of HP0721
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Wavelength(s) | 0.954, 1.907 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 47.770, 47.770, 83.360 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.380 - 1.500 |
| R-factor | 0.17661 |
| Rwork | 0.175 |
| R-free | 0.21020 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.652 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.380 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.050 | 0.480 |
| Number of reflections | 17909 | |
| <I/σ(I)> | 11.58 | 1.6 |
| Completeness [%] | 98.6 | 93.2 |
| Redundancy | 5.11 | 4.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 2.9M SODIUM MALONATE, PH 7 |
