6ED7
Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9798 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 122.430, 111.570, 136.120 |
Unit cell angles | 90.00, 92.08, 90.00 |
Refinement procedure
Resolution | 42.790 - 2.430 |
R-factor | 0.18 |
Rwork | 0.177 |
R-free | 0.23700 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.254 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 200.000 | 2.510 |
High resolution limit [Å] | 2.425 | 2.430 |
Rmerge | 0.067 | 0.354 |
Number of reflections | 104748 | |
<I/σ(I)> | 6.3 | |
Completeness [%] | 99.6 | 99.4 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.05 M Ammonium Citrate, Dibasic 5% w/v Peg3350 0.45mM Spermidine |