4NQ1
Legionella pneumophila dihydrodipicolinate synthase with first substrate pyruvate bound in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-27 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 89.310, 89.310, 290.180 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.270 - 1.650 |
| R-factor | 0.148 |
| Rwork | 0.147 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qze |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.189 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.270 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.108 | 0.343 |
| Number of reflections | 81908 | |
| <I/σ(I)> | 9.1 | 4.2 |
| Completeness [%] | 98.9 | 99.8 |
| Redundancy | 4.6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 10 | 281 | 0.1M Tris, 0.2M magnesium chloride, 10%(W/V) PEG 8000, pH 10.0, VAPOR DIFFUSION, HANGING DROP, temperature 281K |
