3T6C
Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 98 |
Detector technology | CCD |
Collection date | 2011-06-25 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.97930 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 130.790, 130.790, 104.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.223 - 1.598 |
R-factor | 0.1396 |
Rwork | 0.139 |
R-free | 0.16770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gy1 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.771 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 1.630 |
High resolution limit [Å] | 1.598 | 4.340 | 1.600 |
Rmerge | 0.100 | 0.041 | 0.482 |
Number of reflections | 118520 | ||
<I/σ(I)> | 7.1 | ||
Completeness [%] | 99.0 | 98.1 | 98.2 |
Redundancy | 5.5 | 5.7 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 294 | Protein (10 mM HEPES pH 7.8, 150 mM Nacl, 10% glycerol, 5 mM DTT, 5 mM MgCl2; Reservoir (1 M K/Na Tartrate, 100 mM MES pH 6.0); Soak (1 M K/Na Tartrate, 100 mM MES pH 6.0, 20% ethylene glycol, 70 mM NaGluconate) 1 min, vapour diffusion, sitting drop, temperature 294K, VAPOR DIFFUSION, SITTING DROP |