5QR8
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z57258487
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 | 125.330, 108.280, 75.640 |
Unit cell angles | 90.00, 109.11, 90.00 |
Refinement procedure
Resolution | 59.280 - 1.850 |
R-factor | 0.2102 |
Rwork | 0.209 |
R-free | 0.24080 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6hrh |
RMSD bond length | 0.008 |
RMSD bond angle | 1.567 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.210 | 59.210 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.103 | 0.029 | 1.413 |
Rmeas | 0.122 | 0.035 | 1.667 |
Rpim | 0.065 | 0.019 | 0.878 |
Total number of observations | 275400 | 3040 | 21076 |
Number of reflections | 80914 | ||
<I/σ(I)> | 8.2 | 32 | 1 |
Completeness [%] | 99.6 | 94.7 | 99.9 |
Redundancy | 3.4 | 3.4 | 3.5 |
CC(1/2) | 0.996 | 0.997 | 0.443 |
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 |