1E38
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR 2 MINUTES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-07-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.070, 57.910, 75.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.300 - 1.700 |
Rwork | 0.183 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3est |
RMSD bond length | 0.010 |
RMSD bond angle | 0.026 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | X-PLOR |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.300 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.037 | 0.249 |
Number of reflections | 24440 | |
<I/σ(I)> | 12.7 | 5.74 |
Completeness [%] | 98.5 | 95.4 |
Redundancy | 7.7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 5 * | 25MM SODIUM SULPHATE, 25MM SODIUM ACETATE, PH 5.0; THEN SOAKED IN 25 MM SODIUM SULPHATE, 50MM SODIUM ACETATE, 20 MG/ML GAMMA-LACTAM, 10% (V/V) DMSO, PH 5.0 FOR 24 HOURS |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 20 (mg/ml) | |
2 | 1 | 1 | sodium acetate | 50 (mM) | |
3 | 1 | 1 | sodium sulfate | 25 (mM) | |
4 | 1 | 1 | PPE | 25 (mg/ml) | |
5 | 1 | 1 | DMSO | 10 (%(v/v)) |