2ZDG
Crystal structure of D-Alanine:D-Alanine Ligase with ADP from Thermus thermophius HB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-26 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.104, 101.068, 197.542 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.400 - 2.200 |
R-factor | 0.214 |
Rwork | 0.214 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yzg |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.063 | 0.251 |
Number of reflections | 67928 | |
<I/σ(I)> | 30.08 | 4.74 |
Completeness [%] | 95.4 | 69.8 |
Redundancy | 9.5 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 16% PEG3350, 0.1M Bis-Tris, 0.1M Mg Formate, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |