2IFT
Crystal structure of putative methylase HI0767 from Haemophilus influenzae. NESG target IR102.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97928 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.337, 57.873, 47.522 |
Unit cell angles | 90.00, 107.36, 90.00 |
Refinement procedure
Resolution | 29.340 - 2.300 |
R-factor | 0.223 |
Rwork | 0.223 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fpo Chain F |
RMSD bond length | 0.007 |
RMSD bond angle | 1.700 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.960 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.096 | 0.434 |
Number of reflections | 64570 | |
<I/σ(I)> | 10.88 | 2.4 |
Completeness [%] | 98.4 | 85.7 |
Redundancy | 4.2 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch under oil | 7.5 | 293 | 19-21% PEG 4000, 0.2 M Ammonium acetate, 0.1 M HEPES, pH 7.5, microbatch under oil, temperature 293K |