3EOR
Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-10-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 21 3 |
Unit cell lengths | 145.681, 145.681, 145.681 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.980 - 2.900 |
R-factor | 0.189 |
Rwork | 0.188 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.029 |
RMSD bond angle | 2.329 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.1.20) |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.737 | 29.740 | 2.950 |
High resolution limit [Å] | 2.801 | 8.850 | 2.800 |
Rmerge | 0.087 | 0.053 | 0.476 |
Total number of observations | 5563 | 27236 | |
Number of reflections | 12818 | ||
<I/σ(I)> | 6.561 | 11.5 | 1.6 |
Completeness [%] | 99.9 | 97.6 | 100 |
Redundancy | 14.5 | 12.8 | 14.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.5M ammonium sulphate, tri-sodium citrate, lithium sulphate monohydrate, pH 5.6, vapor diffusion, hanging drop, temperature 298K |