5FFN
Complex of subtilase SubTY from Bacillus sp. TY145 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 | 2001-05-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.753, 66.838, 107.082 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.15285 |
| Rwork | 0.151 |
| R-free | 0.18839 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1svn |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.509 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK (1.96.2) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.347 |
| Number of reflections | 40054 | |
| <I/σ(I)> | 33 | 5.8 |
| Completeness [%] | 100.0 | 99.6 |
| Redundancy | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | Complex was concentrated to 45 mg/ml in 10 mM Tris, pH 7.0. 1 microliter of protein solution with 1 microliter of a reservoir solution containing 5.5 M sodium formate, 0.2 M imidazole-malate pH 6.5, and 200 mM NDSB 201. |
