3VAB
Crystal structure of Diaminopimelate decarboxylase from Brucella melitensis bound to PLP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-08 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.530, 126.370, 68.180 |
| Unit cell angles | 90.00, 112.71, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.2236 |
| Rwork | 0.221 |
| R-free | 0.26750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n2b |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.593 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 | |
| High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
| Rmerge | 0.077 | 0.037 | 0.174 |
| Number of reflections | 53634 | 619 | 3765 |
| <I/σ(I)> | 12.53 | 28.03 | 5.97 |
| Completeness [%] | 98.8 | 96 | 93.7 |
| Redundancy | 3.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | BrmeA.00771.a.A1 PS01273 at 36.9 mg/mL against JCSG+ E2 0.2 M sodium chloride, 0.1 M sodium cacodylate pH 6.5, 2 M ammonium sulfate with 10 then 20% ethylene glycol as step cryo-protectant, crystal tracking ID 228027e2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
