4XKY
Structure of dihydrodipicolinate synthase from the commensal bacterium Bacteroides thetaiotaomicron at 2.1 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-24 |
Detector | RAYONIX MX300HS |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.903, 91.988, 208.559 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.620 - 2.100 |
R-factor | 0.18647 |
Rwork | 0.185 |
R-free | 0.22054 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.528 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.091 | 0.037 | 0.718 |
Rmeas | 0.097 | 0.039 | 0.765 |
Rpim | 0.034 | 0.014 | 0.264 |
Total number of observations | 616664 | ||
Number of reflections | 76582 | ||
<I/σ(I)> | 6 | ||
Completeness [%] | 99.8 | 99.8 | 100 |
Redundancy | 8.1 | 7.7 | 8.3 |
CC(1/2) | 0.998 | 0.874 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.8 M Sodium Chloride, 0.1 M Succinate pH 7, 0.1 M Acetate pH 4.6, 15% PEG3350 |