5QRA
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1101755952
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 | 125.849, 108.395, 75.745 |
Unit cell angles | 90.00, 109.01, 90.00 |
Refinement procedure
Resolution | 60.450 - 1.720 |
R-factor | 0.2071 |
Rwork | 0.205 |
R-free | 0.23700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6hrh |
RMSD bond length | 0.008 |
RMSD bond angle | 1.519 |
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] | 60.381 | 60.381 | 1.948 |
High resolution limit [Å] | 1.726 | 5.397 | 1.726 |
Rmeas | 0.106 | 0.036 | 0.877 |
Rpim | 0.057 | 0.019 | 0.485 |
Total number of observations | 226333 | 11209 | 10282 |
Number of reflections | 67094 | ||
<I/σ(I)> | 9.3 | 28 | 1.6 |
Completeness [%] | 93.8 | 99.2 | 61.8 |
Redundancy | 3.4 | 3.3 | 3.1 |
CC(1/2) | 0.997 | 0.999 | 0.566 |
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 |