1H2Z
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, S554A MUTANT WITH BOUND PEPTIDE LIGAND SUC-GLY-PRO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.1 |
Synchrotron site | SRS |
Beamline | PX14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-04-15 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.400, 100.200, 111.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.000 - 1.650 |
R-factor | 0.202 |
Rwork | 0.202 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qfm |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.092 | 0.574 |
Total number of observations | 472928 * | |
Number of reflections | 95461 | |
<I/σ(I)> | 15.7 | 1.5 |
Completeness [%] | 98.8 | 96.9 |
Redundancy | 5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.5 | 4 * | Fulop, V., (1998) Cell, 94, 161. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | mPEG5000 | 17 (%(w/v)) | |
2 | 1 | reservoir | glycerol | 15 (%(v/v)) | |
3 | 1 | reservoir | monothioglycerol | 1 (%(v/v)) | |
4 | 1 | reservoir | 20 (mM) | ||
5 | 1 | reservoir | Tris | 100 (mM) | |
6 | 1 | drop | protein | 10 (mg/ml) |