3SI9
Crystal structure of Dihydrodipicolinate Synthase from Bartonella Henselae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97740 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.963, 106.334, 136.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.186 |
Rwork | 0.183 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rfg |
RMSD bond length | 0.014 |
RMSD bond angle | 1.440 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.090 | 0.418 |
Number of reflections | 68289 | |
<I/σ(I)> | 18.3 | 3.5 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.1 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 20% PEG 4000, 100MM SODIUM CITRATE TRIBASIC PH 5.5, 25.2 MG/ML PROTEIN BAHEA.01563.A.A1.PS00847, WIZARD III/IV CONDITION B5, 218706B5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |