5KIV
Crystal structure of SauMacro (SAV0325)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.823, 47.853, 134.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.982 - 1.750 |
| R-factor | 0.1584 |
| Rwork | 0.157 |
| R-free | 0.19380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1spv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.015 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.086 | 0.345 |
| Number of reflections | 31085 | |
| <I/σ(I)> | 16.3 | |
| Completeness [%] | 98.8 | 98.8 |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 277 | SauMacro (25 mg/mL protein plus 1 mM ADP-ribose) with 0.1 M CHES pH 9.5, 15% (v/v) ethanol in a 1:1 ratio (250 nL : 250 nL) |
