5YVF
Crystal structure of BFA1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-14 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.925, 134.628, 149.477 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.728 - 2.804 |
R-factor | 0.2229 |
Rwork | 0.221 |
R-free | 0.26090 |
Structure solution method | SAD |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
Rmerge | 0.124 | 0.068 | 0.991 |
Rmeas | 0.126 | 0.074 | |
Rpim | 0.049 | 0.029 | 0.389 |
Total number of observations | 293124 | ||
Number of reflections | 40170 | 4269 | 3940 |
<I/σ(I)> | 6.3 | ||
Completeness [%] | 99.8 | 99.6 | 99.6 |
Redundancy | 7.3 | 6.6 | 7.4 |
CC(1/2) | 0.998 | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 289 | 0.1 M Bis-Tris, pH 6.3, 0.3 M MgCl2, 28% (w/v) PEG 3350 |