3DBK
Pseudomonas aeruginosa elastase with phosphoramidon
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-12-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.000, 50.750, 121.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.170 - 1.400 |
R-factor | 0.183 |
Rwork | 0.183 |
R-free | 0.20300 |
Starting model (for MR) | 1u4g |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.430 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 50494 | |
<I/σ(I)> | 7.6 | 4.7 |
Completeness [%] | 92.7 | 92.9 |
Redundancy | 3.1 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | crystallized from 1.2-1.7 M ammonium sulfate, 0.1 M MOPS buffer, 1 micromolar Ca2+, 1 micromolar phosphoramidon, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |