2PVA
OXIDIZED PENICILLIN V ACYLASE FROM B. SPHAERICUS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.5 |
Synchrotron site | SRS |
Beamline | PX9.5 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1997-05-17 |
Detector | MARRESEARCH |
Spacegroup name | P 65 |
Unit cell lengths | 208.400, 208.400, 96.200 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
Rwork | 0.196 |
R-free | 0.24500 |
Structure solution method | MIR |
RMSD bond length | 0.020 |
RMSD bond angle | 0.040 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.500 |
Rmerge | 0.082 |
Total number of observations | 239296 * |
Number of reflections | 80217 |
<I/σ(I)> | 14 |
Completeness [%] | 97.4 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.4 | 5MM DTT, 30% AS, 1% SUCROSE, 0.2M NA PHOSPHATE, PH 6.4 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 15 (mg/ml) | |
2 | 1 | drop | 0.2 (M) | ||
3 | 1 | reservoir | sodium phosphate | 0.2 (M) | pH6.4 |
4 | 1 | reservoir | dithiothreitol | 5 (mM) | |
5 | 1 | reservoir | ammonium sulfate | ||
6 | 1 | reservoir | sucrose | 10 (%(w/v)) |