4IHC
Crystal structure of probable mannonate dehydratase Dd703_0947 (target EFI-502222) from Dickeya dadantii Ech703
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-11 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 224.331, 224.347, 87.076 |
Unit cell angles | 90.00, 97.96, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.000 |
R-factor | 0.17492 |
Rwork | 0.173 |
R-free | 0.22753 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tw9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.437 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.900 | |
Number of reflections | 277432 | |
<I/σ(I)> | 6.1 | 1 |
Completeness [%] | 88.2 | 81.3 |
Redundancy | 2.6 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.2M AMMONIUM IODIDE, PH 7.5, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |