2W3U
formate complex of the Ni-Form of E.coli deformylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-06-24 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 54.590, 54.590, 228.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.300 - 1.960 |
| R-factor | 0.24992 |
| Rwork | 0.247 |
| R-free | 0.28542 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xeo |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.452 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0047) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.100 | 0.370 |
| Number of reflections | 14750 | |
| <I/σ(I)> | 11.5 | 1.3 |
| Completeness [%] | 95.5 | 64.5 |
| Redundancy | 6.37 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.1 | 293 | 20% PEG4000, 0.2M (NH4)2SO4, 0.1M NAOAC PH 4.1, 293 K |
