3M6I
L-arabinitol 4-dehydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 300 mm plate |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 134.520, 134.520, 224.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.600 |
R-factor | 0.21145 |
Rwork | 0.209 |
R-free | 0.26634 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pl7 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.562 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0056) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.094 | 0.632 |
Number of reflections | 34261 | |
<I/σ(I)> | 13.3 | 2.9 |
Completeness [%] | 96.3 | 92 |
Redundancy | 10.6 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 278 | 1.8M ammonium sulfate 10 mM NAD 100 mM KCl 10 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |