5MYP
Structure of apo-TbALDH3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-16 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 87.717, 63.950, 91.746 |
Unit cell angles | 90.00, 98.64, 90.00 |
Refinement procedure
Resolution | 22.900 - 1.950 |
R-factor | 0.20133 |
Rwork | 0.200 |
R-free | 0.22327 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | homology model |
RMSD bond length | 0.007 |
RMSD bond angle | 1.099 |
Data reduction software | XDS |
Data scaling software | Aimless (6.5.013) |
Phasing software | PHASER (6.5.013) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.700 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.099 | 0.213 |
Number of reflections | 72557 | 4318 |
<I/σ(I)> | 10.1 | 3.8 |
Completeness [%] | 99.4 | 95.9 |
Redundancy | 4.9 | 3.5 |
CC(1/2) | 0.993 | 0.941 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 100 mM Bis-Tris pH 5.5, 0.2 M LiSO4, 25% PEG3350 |