1XEM
High Resolution Crystal Structure of Escherichia coli Zinc- Peptide Deformylase bound to formate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2004-05-29 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9997 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 54.640, 54.640, 224.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.880 - 1.760 |
| R-factor | 0.163 |
| Rwork | 0.163 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.095 | 0.260 |
| Number of reflections | 20675 | |
| <I/σ(I)> | 29.6 | 13.08 |
| Completeness [%] | 99.4 | 98.9 |
| Redundancy | 17.5 | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | Sodium Acetate, Sodium Formate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
