5QR9
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31478129
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 125.439, 108.231, 75.674 |
Unit cell angles | 90.00, 108.89, 90.00 |
Refinement procedure
Resolution | 60.350 - 1.620 |
R-factor | 0.2098 |
Rwork | 0.209 |
R-free | 0.23290 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6hrh |
RMSD bond length | 0.009 |
RMSD bond angle | 1.560 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.277 | 60.277 | 1.832 |
High resolution limit [Å] | 1.629 | 5.151 | 1.629 |
Rmeas | 0.112 | 0.043 | 0.976 |
Rpim | 0.060 | 0.023 | 0.518 |
Total number of observations | 261097 | 12841 | 12896 |
Number of reflections | 75578 | ||
<I/σ(I)> | 8.2 | 21.3 | 1.6 |
Completeness [%] | 92.6 | 98.1 | 66.4 |
Redundancy | 3.5 | 3.4 | 3.4 |
CC(1/2) | 0.997 | 0.998 | 0.533 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES pH 7.5, 0.2 M magnesium chloride, 20% PEG3350 |