3F0E
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-07 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.765, 68.456, 60.882 |
Unit cell angles | 90.00, 96.71, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.050 |
R-factor | 0.207 |
Rwork | 0.205 |
R-free | 0.24600 |
Structure solution method | pdb entry 3F0D |
RMSD bond length | 0.007 |
RMSD bond angle | 0.984 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.5.0053) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.410 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.075 | 0.221 |
Number of reflections | 28805 | |
<I/σ(I)> | 18.3 | 4.4 |
Completeness [%] | 95.8 | 79.6 |
Redundancy | 3.7 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 289 | JCSG+ screen condition a5, 20% PEG 3350, 0.2 M magnesium formate, 34.4 mg/mL protein, 0.4/0.4 uL drops, crystal ID 200155a5, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 289K |