4KP2
Crystal structure of homoaconitase large subunit from methanococcus jannaschii (MJ1003)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-30 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.325, 103.098, 112.922 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.894 - 2.504 |
R-factor | 0.23 |
Rwork | 0.226 |
R-free | 0.27730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kp1 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.563 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 | 2.540 |
High resolution limit [Å] | 2.500 | 2.690 | 2.500 |
Number of reflections | 27048 | ||
Completeness [%] | 96.1 | 94.7 | 91.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 18% Jeffamine ED-2001(pH7.0), 0.1M sodium citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |