5QR1
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z396380540
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 | 2019-04-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 125.757, 108.412, 75.740 |
Unit cell angles | 90.00, 109.11, 90.00 |
Refinement procedure
Resolution | 80.090 - 1.440 |
R-factor | 0.211 |
Rwork | 0.210 |
R-free | 0.23180 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6hrh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.662 |
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] | 80.088 | 80.088 | 1.626 |
High resolution limit [Å] | 1.442 | 4.560 | 1.442 |
Rmeas | 0.050 | 0.022 | 0.606 |
Rpim | 0.027 | 0.012 | 0.339 |
Total number of observations | 372666 | 19066 | 16533 |
Number of reflections | 110686 | ||
<I/σ(I)> | 14 | 46.2 | 1.8 |
Completeness [%] | 95.1 | 99.5 | 70.2 |
Redundancy | 3.4 | 3.4 | 3 |
CC(1/2) | 0.999 | 0.999 | 0.752 |
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 |