4R4J
Crystal structure of complex sp_ASADH with 3-carboxypropyl-phthalic acid and Nicotinamide Adenine dinucleotide phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-27 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.925, 98.842, 64.329 |
Unit cell angles | 90.00, 100.91, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.510 |
R-factor | 0.15295 |
Rwork | 0.151 |
R-free | 0.18997 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4r3n |
RMSD bond length | 0.006 |
RMSD bond angle | 1.339 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.560 |
High resolution limit [Å] | 1.500 | 3.120 | 1.500 |
Number of reflections | 106917 | ||
<I/σ(I)> | 26.1 | ||
Completeness [%] | 82.5 | 84.8 | 83.7 |
Redundancy | 2.3 | 2.2 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 15-22% PEG 3350,0.1 M Na acetate, 0.1 M MES buffer (pH 6.5), 10mM TCEP, 3% Ethylene Glycole, VAPOR DIFFUSION, HANGING DROP, temperature 295K |