1NXE
A Novel NADH Allosteric Regulator Site is Found on the Surface of the Hexameric Type II Phe383Ala Variant of Citrate Synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Collection date | 2002-02-07 |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 165.243, 165.243, 157.557 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 2.300 |
R-factor | 0.17 |
Rwork | 0.170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1K3P |
RMSD bond length | 0.007 * |
RMSD bond angle | 1.600 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.300 | 2.300 * |
Rmerge | 0.060 * | 0.154 * |
Total number of observations | 485765 * | |
Number of reflections | 54292 | |
Redundancy | 3.8 * | 1.6 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 * | pH 6.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 2-2.2 (M) | |
2 | 1 | reservoir | PEG400 | 2 (%(v/v)) | |
3 | 1 | reservoir | sodium HEPES | 0.1 (M) | pH7.5 |
4 | 1 | drop | protein | 20 (mg/ml) |