6UP9
Crystal structure of T467A variant of cytosolic fumarate hydratase from Leishmania major in a complex with malonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.653, 84.937, 240.205 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.034 - 1.949 |
R-factor | 0.1592 |
Rwork | 0.157 |
R-free | 0.19360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5l2r |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.949 | 1.950 |
Number of reflections | 97272 | 97272 |
<I/σ(I)> | 9.3 | |
Completeness [%] | 98.5 | |
Redundancy | 3.5 | |
CC(1/2) | 0.453 | 0.453 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5 | 293 | 12% v/v PEG3350, 10 mM ammonium citrate tribasic, 16 mM sodium acetate trihydrate, 20 mM sodium formate, 6.4 mM ammonium tartrate dibasic, 73.2 mM malonate, 12 mM RS-Malate, 4.8 mM succinate |