7MJD
Crystal Structure Analysis of ALDH1B1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 102.040, 102.040, 186.037 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.370 - 2.120 |
R-factor | 0.1825 |
Rwork | 0.180 |
R-free | 0.21880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3n80 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.535 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.6.1) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 88.369 | 37.207 | 2.230 |
High resolution limit [Å] | 2.120 | 6.700 | 2.120 |
Rmerge | 0.046 | 0.793 | |
Rmeas | 0.088 | 0.050 | 0.859 |
Rpim | 0.034 | 0.020 | 0.327 |
Total number of observations | 431121 | 13562 | 63927 |
Number of reflections | 64238 | 2200 | 9264 |
<I/σ(I)> | 11.4 | 27.8 | 2.3 |
Completeness [%] | 99.9 | 98.7 | 100 |
Redundancy | 6.7 | 6.2 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | PEG 4000, glycerol, tris-bicine, ethyleneglycols |