6JV6
Crystal structure of the sirohydrochlorin chelatase SirB from Bacillus subtilis subspecies spizizenii in complex with cobalt
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-01 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 75.669, 75.669, 82.419 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.150 |
| R-factor | 0.20592 |
| Rwork | 0.204 |
| R-free | 0.24826 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zt7 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.346 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.071 | 0.502 |
| Number of reflections | 15502 | 1547 |
| <I/σ(I)> | 33 | 4.5 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 4.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | cobalt chloride, magnesium chloride, ammonium sulfate, MES |
