5FBZ
Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-06-09 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.387, 151.411, 64.054 |
| Unit cell angles | 90.00, 117.11, 90.00 |
Refinement procedure
| Resolution | 19.970 - 1.900 |
| R-factor | 0.125 |
| Rwork | 0.129 |
| R-free | 0.18100 |
| Structure solution method | MIR |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.354 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK (1.9.0) |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.046 | 0.128 |
| Number of reflections | 59477 | |
| <I/σ(I)> | 22 | 5.4 |
| Completeness [%] | 76.6 | 14.5 |
| Redundancy | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | Plate-like crystals were grown by hanging drop vapour diffusion with the drop consisting of 2 microliters of 15-20 mg/mL concentration protein, 10 mM sodium cacodylate in HCl buffer, pH 6.5 and 1 microliter of reservoir solution: 20% w/v PEG 4000, 0.1 M HEPES buffer, pH 7.5, 10% v/v isopropanol. |
