1QF2
THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-GLY-(5-PHENYLPROLINE). PARAMETERS FOR ZN-MONODENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 278 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 93.500, 93.500, 131.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.100 * |
| Rwork | 0.159 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lnf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.380 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.500 | 2.300 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.035 * | 0.073 * |
| Number of reflections | 21572 * | |
| <I/σ(I)> | 13.1 | 10.2 |
| Completeness [%] | 99.1 | 96.8 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | 5 * | drop consists of protein solution and Solution A * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | TLN | 3.2 (mM) | |
| 3 | 1 | drop | [(2S)-2-Sulfanyl-3-phenylpropanpyl]Gly-(5-Ph)Pro(RB106) 2 | 17 (mM) | |
| 4 | 1 | reservoir | tris(hydroxymethyl)aminomethane/acetate | 50 (mM) | Solution A |
| 5 | 1 | reservoir | 0.5 (M) | Solution A | |
| 6 | 1 | reservoir | dithiothreitol | 4 (mM) | Solution A |
| 7 | 1 | reservoir | 1 (mM) | Solution A | |
| 8 | 1 | reservoir | DMSO | 45 (%(v/v)) | Solution A |
