3ZOG
Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound 1-Cyclohex-2-enone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Collection date | 2011-02-12 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 46.060, 46.060, 268.600 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.770 - 1.750 |
R-factor | 0.19629 |
Rwork | 0.194 |
R-free | 0.23149 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1usc |
RMSD bond length | 0.008 |
RMSD bond angle | 1.287 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 1.850 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.060 | 0.640 |
Number of reflections | 18259 | |
<I/σ(I)> | 26.2 | 3.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 15.3 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | VAPOR DIFFUSION AT 293K; CONDITIONS CONTAINING PEG 3350 OR 6000 (10-20% W/V) AS PRECIPITATION AGENT AND DIFFERENT SALTS (50-200 MM MAGNESIUM CLORIDE, POTASSIUM FORMATE, NATRIUM FORMATE, AMMONIUM FORMATE, MAGNESIUM FORMATE) |