4DN1
Crystal structure of an ENOLASE (mandelate racemase subgroup member) from Agrobacterium tumefaciens (target EFI-502088) with bound mg and formate
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 | 2011-11-15 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 102.360, 102.360, 369.620 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.706 - 2.050 |
R-factor | 0.1631 |
Rwork | 0.161 |
R-free | 0.19350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nql |
RMSD bond length | 0.008 |
RMSD bond angle | 1.053 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.108 | 0.517 |
Number of reflections | 72945 | |
<I/σ(I)> | 15.8 | 4.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.7 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop vapor diffuction | 4.6 | 298 | Protein (10 mM Tris pH 8.0, 150 mM NaCl, 5 mM MgCl2, 1 mM D,L-glycerate; Reservoir (0.1 M NaAcetate pH 4.6, 3.5 M NaFormate); Cryoprotection (Reservoir, 50 mM MgCl2, 20% Glycerol), sitting drop vapor diffuction, temperature 298K |