3WH9
The ligand-free structure of ManBK from Aspergillus niger BK01
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-26 |
| Detector | MX300HE |
| Wavelength(s) | 0.97622 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 93.584, 97.051, 147.838 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.570 |
| Rwork | 0.159 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qnr |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.630 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.040 | 0.367 |
| Number of reflections | 94099 | |
| <I/σ(I)> | 39.8 | 5.2 |
| Completeness [%] | 99.5 | 98.8 |
| Redundancy | 5.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 0.4M magnesium chloride hexahydrate, 0.1M Bis-Tris pH 5.5, 29% (w/v) polyethylene glycol 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
