7ZCC
yxBC from Bacillus subtilis in complex with Mn and N-oxalylglycine (NOG)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91741 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 109.733, 109.733, 192.191 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.647 - 1.848 |
| R-factor | 0.1671 |
| Rwork | 0.165 |
| R-free | 0.20020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vrb |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.848 | 3.990 | 1.850 |
| Number of reflections | 105884 | 10552 | 10600 |
| <I/σ(I)> | 20.1 | 2.1 | |
| Completeness [%] | 93.5 | 90.7 | 94.6 |
| Redundancy | 3.9 | 4.1 | 3.7 |
| CC(1/2) | 0.990 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | For details, please contact chowdhury.rzaman@gmail.com |
