3WJ2
Crystal structure of ESTFA (FE-lacking apo form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2008-10-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.804, 137.360, 76.878 |
Unit cell angles | 90.00, 91.47, 90.00 |
Refinement procedure
Resolution | 46.370 - 1.610 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.029 |
RMSD bond angle | 2.395 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.670 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.058 | |
Number of reflections | 166739 | |
Completeness [%] | 99.0 | 93.1 |
Redundancy | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 293 | 13% PEG 3350, 100MM SODIUM ACETATE, PH 8.0, VAPOR DIFFUSION, temperature 293K |