8OG3
E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate
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 | 2010-01-29 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.933 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.263, 57.263, 263.827 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.990 - 2.090 |
R-factor | 0.16717 |
Rwork | 0.165 |
R-free | 0.21796 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.589 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.990 | 2.148 |
High resolution limit [Å] | 2.090 | 2.094 |
Number of reflections | 27043 | 1910 |
<I/σ(I)> | 21.17 | 5.54 |
Completeness [%] | 99.8 | 98.45 |
Redundancy | 7.16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 13% PEG 4,000; 100 mM Na Acetate, 15% Ethylene glycol, 100 mM Citrate |