4R88
Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-fluorocytosine
Replaces: 4JNRExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.954, 162.419, 184.047 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.663 - 1.952 |
R-factor | 0.1657 |
Rwork | 0.165 |
R-free | 0.20080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4JNR |
RMSD bond length | 0.007 |
RMSD bond angle | 1.057 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 46.663 |
High resolution limit [Å] | 1.952 |
Number of reflections | 211096 |
Completeness [%] | 95.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 30% PEG 4000, 0.1M SODIUM CITRATE, 0.2M AMMONIUM ACETATE, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |