Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97954 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 108.768, 147.632, 47.196 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.506 - 2.310 |
R-factor | 0.2256 |
Rwork | 0.222 |
R-free | 0.26410 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.822 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.360 |
High resolution limit [Å] | 2.310 | 6.290 | 2.320 |
Rmerge | 0.037 | 0.011 | 0.731 |
Number of reflections | 16738 | ||
<I/σ(I)> | 14.3 | ||
Completeness [%] | 97.7 | 91.7 | 100 |
Redundancy | 5.4 | 4.9 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.29 | 293 | TO 15 MG/ML BUB1, ATP WAS ADDED TO A FINAL CONCENTRATION OF 10 MM. SITTING DROPS WERE MADE BY MIXING 1.5 MICROLITERS PROTEIN WITH 1.5 MICROLITERS CRYSTALLIZATION SOLUTION (20% W/V PEG 3350, 0.1 M SODIUM FORMATE PH 6.29, 25 MM DTT) AND EQUILIBRATING AGAINST 200 MICROLITERS OF RESERVOIR SOLUTION. LARGE SINGLE CRYSTALS WERE OBTAINED BY REPEATED SEEDING. THE CRYSTALS WERE CRYO-PROTECTED IN RESERVOIR SOLUTION SUPPLEMENTED WITH 18% V/V GLYCEROL AND THEN FLASH-COOLED IN LIQUID PROPANE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K, vapor diffusion, sitting drop |