5QQY
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434899
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 | 125.696, 108.463, 75.697 |
Unit cell angles | 90.00, 108.98, 90.00 |
Refinement procedure
Resolution | 71.690 - 1.490 |
R-factor | 0.2102 |
Rwork | 0.209 |
R-free | 0.23230 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6hrh |
RMSD bond length | 0.009 |
RMSD bond angle | 1.628 |
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] | 55.437 | 55.437 | 1.655 |
High resolution limit [Å] | 1.493 | 4.713 | 1.493 |
Rmeas | 0.059 | 0.026 | 0.691 |
Rpim | 0.032 | 0.014 | 0.412 |
Total number of observations | 337165 | 17275 | 13755 |
Number of reflections | 100570 | ||
<I/σ(I)> | 12.6 | 40.8 | 1.7 |
Completeness [%] | 93.3 | 99.7 | 79.6 |
Redundancy | 3.4 | 3.4 | 2.7 |
CC(1/2) | 0.999 | 0.999 | 0.669 |
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 |