3BB7
Structure of Prevotella intermedia prointerpain A fragment 39-359 (mutant C154A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9763 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 128.870, 38.810, 78.140 |
Unit cell angles | 90.00, 127.26, 90.00 |
Refinement procedure
Resolution | 39.070 - 1.500 |
R-factor | 0.1556 |
Rwork | 0.155 |
R-free | 0.19338 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dki |
RMSD bond length | 0.013 |
RMSD bond angle | 1.399 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.070 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.080 | 0.409 |
Number of reflections | 49377 | |
<I/σ(I)> | 16.4 | 5.3 |
Completeness [%] | 99.5 | 97.4 |
Redundancy | 7 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10% polyethylene glycol 3000, 0.2M magnesium chloride, 0.1M sodium cacodylate, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |