4DQW
Crystal Structure Analysis of PA3770
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-11 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9334 |
Spacegroup name | I 4 |
Unit cell lengths | 108.960, 108.960, 194.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.920 - 2.510 |
R-factor | 0.21773 |
Rwork | 0.214 |
R-free | 0.28432 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.445 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.920 | 2.578 |
High resolution limit [Å] | 2.450 | 2.450 |
Number of reflections | 34180 | |
Completeness [%] | 91.7 | 88.7 |
Redundancy | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 12% PEG 2000, Kcitrate 60 mM, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |