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 |