3PM6
Crystal structure of a putative fructose-1,6-biphosphate aldolase from Coccidioides immitis solved by combined SAD MR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-14 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.910, 77.770, 68.320 |
Unit cell angles | 90.00, 93.71, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.1998 |
Rwork | 0.198 |
R-free | 0.23690 |
Structure solution method | SAD WITH MR |
Starting model (for MR) | 2isv |
RMSD bond length | 0.015 |
RMSD bond angle | 1.428 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (EP) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.260 | |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.104 | 0.067 | 0.478 |
Number of reflections | 30048 | 350 | 1866 |
<I/σ(I)> | 12.96 | 29.5 | 3.7 |
Completeness [%] | 97.5 | 95.6 | 82.8 |
Redundancy | 7.3 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 23.4 mg/mL CoimA.00345.a.A1 PS00465 against ProPlex screen condition E11, 0.1 M sodium citrate pH 5.0, 20% PEG 8000, soaked into 1 M NaI, 0.1 M sodium citrate pH 5.0, 20% PEG 8000, 20% ethylene glycol, crystal tracking ID 206915e11, VAPOR DIFFUSION, SITTING DROP, temperature 289K |