4LAF
Crystal structure of PnpB complex with FMN
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 | 2010-06-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9790 |
Spacegroup name | H 3 |
Unit cell lengths | 188.553, 188.553, 61.203 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.633 - 1.761 |
R-factor | 0.1915 |
Rwork | 0.191 |
R-free | 0.21170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.031 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
High resolution limit [Å] | 1.760 | 3.790 | 1.760 |
Rmerge | 0.052 | 0.318 | |
Number of reflections | 80299 | ||
<I/σ(I)> | 28.24 | 5.63 | |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 5.3 | 5.6 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1M MES monohydrate pH6.0, 20% Polyethylene glycol monomethyl ether 2000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |