3TJI
CRYSTAL STRUCTURE OF AN ENOLASE FROM ENTEROBACTER sp. 638 (EFI TARGET EFI-501662) with BOUND MG
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 | 2011-08-01 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 182.150, 182.150, 104.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 128.800 - 1.800 |
R-factor | 0.2523 |
Rwork | 0.252 |
R-free | 0.28190 |
Structure solution method | MIR |
Starting model (for MR) | 3gy1 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.274 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 182.149 | 182.149 | 1.900 |
High resolution limit [Å] | 1.799 | 5.690 | 1.800 |
Rmerge | 0.068 | 0.497 | |
Total number of observations | 72800 | 140503 | |
Number of reflections | 162263 | ||
<I/σ(I)> | 8.1 | 6.7 | 1.5 |
Completeness [%] | 99.9 | 99.8 | 99.8 |
Redundancy | 9.4 | 13.1 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | Protein (10 mM Hepes, pH 7.8, 150 mM NaCl, 10% glycerol, 5 mM DTT, 5 mM MgCl2; Reservoir (2.5M NaCl, 100 mM Tris pH 7.5, 200 mM MgCl2); Cryoprotection (Reservoir + 20% glycerol), sitting drop vapor diffuction, temperature 298K, VAPOR DIFFUSION, SITTING DROP |