3F0G
Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase with CMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-24 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 157.662, 69.760, 116.671 |
Unit cell angles | 90.00, 130.04, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.080 |
R-factor | 0.216 |
Rwork | 0.213 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f0d |
RMSD bond length | 0.007 |
RMSD bond angle | 0.977 |
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] | 89.440 | 2.150 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmerge | 0.049 | 0.139 |
Number of reflections | 49247 | |
<I/σ(I)> | 27.111 | 6.7 |
Completeness [%] | 84.4 | 89.6 |
Redundancy | 3.4 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | Crystal ID 200617a7, 34.4 mg/mL protein, VAPOR DIFFUSION, SITTING DROP, temperature 289K |