3Q43
X-ray crystal structure of PfA-M1 bound to bestatin derivative 15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.772, 108.814, 118.683 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.070 - 1.800 |
R-factor | 0.16817 |
Rwork | 0.166 |
R-free | 0.20694 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ebg |
RMSD bond length | 0.017 |
RMSD bond angle | 1.531 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 55.050 |
High resolution limit [Å] | 1.800 |
Number of reflections | 91348 |
Completeness [%] | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 22% (vol/vol) polyethylene glycol 8000, 10% (vol/vol) glycerol, 0.1 M Tris (pH 8.5), 0.2M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |