3PYD
crystal structure of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (IspE) from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-07-08 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.584, 72.375, 107.393 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.570 - 2.101 |
R-factor | 0.197 |
Rwork | 0.195 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uek |
RMSD bond length | 0.008 |
RMSD bond angle | 1.177 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.100 |
Number of reflections | 24569 |
Completeness [%] | 99.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.1M Bis-Tris propane (pH 7.0), 3.2M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 291K |