4JN7
CRYSTAL STRUCTURE OF AN ENOLASE (PUTATIVE GALACTARATE DEHYDRATASE, TARGET EFI-500740) FROM AGROBACTERIUM RADIOBACTER, BOUND NA and L-MALATE, ORDERED ACTIVE SITE
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 | 2013-03-07 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 131.008, 131.008, 102.232 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.517 - 1.150 |
R-factor | 0.1361 |
Rwork | 0.136 |
R-free | 0.14460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rr1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.328 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | BALBES |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 92.637 | 18.517 | 1.210 |
High resolution limit [Å] | 1.150 | 3.640 | 1.150 |
Rmerge | 0.119 | 0.067 | 0.732 |
Total number of observations | 72301 | 318300 | |
Number of reflections | 155626 | ||
<I/σ(I)> | 13 | 8.1 | 1 |
Completeness [%] | 100.0 | 98.9 | 100 |
Redundancy | 14.4 | 14 | 14.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Protein (20 mM Tris pH 7.9, 5 mM MgCl2, 0.1 M NaCl); Reservoir (0.15 M DL-Malic Acid pH 7.0, 20 %(w/v) PEG 3350); Cryoprotection (Reservoir, + 20% ethylene glycol and 50 mM MgCl), temperature 298K, VAPOR DIFFUSION, SITTING DROP |