2YZN
Crystal structure of D-alanine:D-Alanine Ligase with AMPPNP from Thermus thermophilus 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 | 2006-10-08 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 167.720, 56.708, 141.826 |
Unit cell angles | 90.00, 108.56, 90.00 |
Refinement procedure
Resolution | 47.910 - 2.600 |
R-factor | 0.23 |
Rwork | 0.230 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yzg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
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 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.039 | 0.285 |
Number of reflections | 38994 | |
<I/σ(I)> | 25.7 | 3.16 |
Completeness [%] | 99.6 | 99 |
Redundancy | 5.1 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | PEG 3350 16%, 0.1M Amm Sulfate, 0.1M Bis-Tris pH5.8, 3mM AMPPNP, VAPOR DIFFUSION, HANGING DROP, temperature 293K |