4G81
Crystal structure of a hexonate dehydrogenase ortholog (target efi-506402 from salmonella enterica, unliganded structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-01 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 73.650, 94.197, 129.356 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.678 - 1.900 |
R-factor | 0.1654 |
Rwork | 0.164 |
R-free | 0.20240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cxr |
RMSD bond length | 0.007 |
RMSD bond angle | 1.033 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 94.197 | 129.356 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.110 | 0.045 | 0.664 |
Total number of observations | 16038 | 66989 | |
Number of reflections | 71511 | ||
<I/σ(I)> | 11.6 | 12.5 | 1.2 |
Completeness [%] | 99.8 | 97.6 | 99.7 |
Redundancy | 7 | 6.6 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Protein (10mM Tris pH 7.9 and 5mM MgCl2, Reservoir (0.1 M Bis-Tris Propane:HCl pH 7 1.098 M Malonic acid, 0.15 M Ammonium Citrate Tribasic, 0.072 M Succinic Acid, 0.18 M DL-Malic Acid,0.24 M Sodium Acetate, 0.3 M Sodium Formate, 0.096 M Ammonium Tartrate Dibasic), Cryoprotection (Reservoir, + 20% Ethylene glycol), sitting drop, vapor diffusion, temperature 298K, VAPOR DIFFUSION, SITTING DROP |