4L1K
Crystal structure of D-alanine-D-alnine ligase from Xanthomonas oryzae pv. oryzae with AMPPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2010-11-09 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 83.018, 83.018, 97.364 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.590 - 2.300 |
| R-factor | 0.21479 |
| Rwork | 0.211 |
| R-free | 0.26365 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.829 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 15744 | |
| <I/σ(I)> | 6.05 | |
| Completeness [%] | 99.0 | 98.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 287 | Hampton Research Additive Screen HR2-428, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 287K |
