1J3Q
Crystal structure of Thermococcus litoralis phosphogrucose isomerase soaked with FeSO4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.520, 81.070, 126.939 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.270 - 1.850 |
R-factor | 0.238 |
Rwork | 0.238 |
R-free | 0.27800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1j3p |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.500 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.041 | 0.296 |
Number of reflections | 35186 | |
<I/σ(I)> | 10.6 | 2.6 |
Completeness [%] | 96.4 | 89.8 |
Redundancy | 3.64 | 3.43 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 278 | PEG 8000, potassium phosphate, ferrous sulfate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K |