5ZTA
SirB from Bacillus subtilis with Fe3+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-06 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.460, 53.430, 79.860 |
| Unit cell angles | 90.00, 105.80, 90.00 |
Refinement procedure
| Resolution | 44.754 - 3.070 |
| R-factor | 0.2362 |
| Rwork | 0.235 |
| R-free | 0.26650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zt7 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.754 | 44.754 | 3.170 |
| High resolution limit [Å] | 3.070 | 10.000 | 3.070 |
| Rmerge | 0.231 | 0.107 | 0.950 |
| Rmeas | 0.275 | 0.127 | 1.127 |
| Total number of observations | 68297 | ||
| Number of reflections | 20500 | 580 | 1906 |
| <I/σ(I)> | 4.02 | 10.48 | 1.43 |
| Completeness [%] | 99.1 | 98.5 | 99.1 |
| Redundancy | 3.332 | 3.469 | 3.407 |
| CC(1/2) | 0.971 | 0.973 | 0.661 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M Li-acetate, 20% w/v PEG 3350, 10 mM ammonium ferrous sulfate (air-oxidzed to Fe3+) |
