3VJF
Crystal structure of de novo 4-helix bundle protein WA20
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2010-06-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97881, 0.97908, 0.90000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 65.950, 102.858, 31.344 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.234 |
Rwork | 0.233 |
R-free | 0.25500 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.165 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE (2.13) |
Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.098 | 0.093 | 0.306 |
Number of reflections | 11102 | ||
<I/σ(I)> | 11.6 | 9.6 | 5.4 |
Completeness [%] | 97.4 | 98.7 | 85.3 |
Redundancy | 6.1 | 5.8 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 277.15 | 1.344M potassium phosphate dibasic, 0.056M sodium phosphate monobasic monohydrate, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |