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 |