3F0F
Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with hydrolyzed CDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-19 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.078, 66.457, 131.465 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.090 |
R-factor | 0.2 |
Rwork | 0.197 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f0d |
RMSD bond length | 0.007 |
RMSD bond angle | 1.048 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.5.0053) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.800 | 2.180 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.098 | 0.549 |
Number of reflections | 27899 | |
<I/σ(I)> | 15.889 | 2.5 |
Completeness [%] | 98.8 | 98.4 |
Redundancy | 5.1 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 34.4 mg/mL protein, Crystal ID 200564d9, VAPOR DIFFUSION, SITTING DROP, temperature 289K |