3IJP
Crystal structure of dihydrodipicolinate reductase from bartonella henselae at 2.0A resolution
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 | 2009-07-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9744 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 109.380, 109.380, 176.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1arz modified with ccp4 program chainsaw |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.589 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.110 | 0.618 |
| Number of reflections | 48383 | |
| <I/σ(I)> | 19.94 | 3.8 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 9.6 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | PROPLEX SCREEN: 100MM SODIUM CITRATE PH 5.5, 5% PEG 4000, 200MM SODIUM ACETATE, BAHEA.00189.A AT 6.05MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K |
