4MXL
X-ray structure of ZnPFeBMb1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2013-05-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0781 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.754, 48.233, 77.819 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.280 - 1.500 |
| R-factor | 0.2095 |
| Rwork | 0.207 |
| R-free | 0.25474 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.669 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 24494 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 98.9 | |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.77 | 277 | 0.1M sodium cacodylate, 0.2M NaOAC.3H2O, 30-32% PEG 10K, pH 6.77, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
