2EW6
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-11-25 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.170, 52.937, 91.792 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 11.990 - 2.200 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ix1 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data scaling software | CCP4 ((TRUNCATE)) |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 12.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.097 | 0.245 |
Number of reflections | 10780 | |
<I/σ(I)> | 6 | 2.4 |
Completeness [%] | 99.4 | 99.3 |
Redundancy | 3.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 60-70% MPD in 0.1M pH7.8 Hepes, VAPOR DIFFUSION, HANGING DROP, temperature 277K |