8P4Q
Structure of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979263470491 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 123.980, 131.680, 182.495 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.040 - 1.880 |
R-factor | 0.1793 |
Rwork | 0.178 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.684 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.21rc1_4933) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.040 | 1.930 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmeas | 0.073 | 0.806 |
Number of reflections | 219243 | 7407 |
<I/σ(I)> | 14.21 | 0.67 |
Completeness [%] | 90.4 | 35.3 |
Redundancy | 4.6 | 1.18 |
CC(1/2) | 0.999 | 0.550 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | Crystals were grown in the presence of XMP and NAD+ in mother liquor from the condition 1-10 of the commercial screen Morpheus (Molecular Dimensions), which consists of a salt mixture (0.03M Magnesium chloride hexahydrate and 0.03M Calcium chloride dihydrate), a precipitant mix (20% v/v Ethylene glycol and 10 % w/v PEG 8000), and 0.1M of a buffer system (Tris-base, Bicine) adjusted at pH 8.5. Initial concentrations: Protein = 12.5 mg/mL XMP = 3 mM NAD = 3 mM |