3UF0
Crystal structure of a putative NAD(P) dependent gluconate 5-dehydrogenase from Beutenbergia cavernae(EFI target EFI-502044) with bound NADP (low occupancy)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 115.470, 115.470, 76.182 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.745 - 2.000 |
R-factor | 0.1633 |
Rwork | 0.162 |
R-free | 0.19460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o03 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.034 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 81.685 | 42.740 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.033 | 0.424 | |
Total number of observations | 13567 | 53029 | |
Number of reflections | 35340 | ||
<I/σ(I)> | 20.1 | 18.8 | 1.8 |
Completeness [%] | 99.9 | 98.8 | 99.9 |
Redundancy | 10.9 | 10.9 | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop vapor diffuction | 4.6 | 298 | Protein (10 mM Hepes, pH 7.8, 150 mM NaCl, 10% glycerol, 5 mM DTT, 5 mM MgCl2; Reservoir (100 mM NaAcetate pH 4.6, 2 M NaFormate); Cryoprotection (Reservoir + 20% glycerol), sitting drop vapor diffuction, temperature 298K |