5D85
Staphyloferrin B precursor biosynthetic enzyme SbnA bound to aminoacrylate intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1587 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 56.741, 117.408, 47.818 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.075 - 1.920 |
R-factor | 0.1741 |
Rwork | 0.171 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.286 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.140 | 39.140 | 1.960 |
High resolution limit [Å] | 1.920 | 9.000 | 1.920 |
Rmerge | 0.082 | 0.021 | 0.536 |
Rpim | 0.037 | 0.010 | 0.245 |
Total number of observations | 148794 | 1492 | 8391 |
Number of reflections | 25115 | ||
<I/σ(I)> | 13.1 | 35.1 | 2.6 |
Completeness [%] | 99.5 | 99 | 93.2 |
Redundancy | 5.9 | 4.9 | 5.5 |
CC(1/2) | 0.999 | 0.999 | 0.936 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.9-1.1 M Sodium citrate, pH 6.5 |