4REG
Crystal Structure Analysis of PF0642
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98038 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 79.259, 79.259, 136.103 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.368 - 2.494 |
R-factor | 0.2141 |
Rwork | 0.211 |
R-free | 0.26520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ps0 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.903 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.560 |
High resolution limit [Å] | 2.494 | 2.500 |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 20% PEG 4000,0.2M Ammonium citrate tribasic , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |