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 |