4DR9
Crystal structure of a peptide deformylase from synechococcus elongatus in complex with actinonin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-07 |
Detector | RIGAKU SATURN 944+ |
Spacegroup name | P 1 |
Unit cell lengths | 43.250, 65.780, 68.290 |
Unit cell angles | 80.87, 76.82, 82.75 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.185 |
Rwork | 0.182 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdb deposition 1lry modified with CCP4 program CHAINSAW |
RMSD bond length | 0.013 |
RMSD bond angle | 1.603 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.077 | 0.490 |
Number of reflections | 56579 | |
<I/σ(I)> | 17 | 2.02 |
Completeness [%] | 99.6 | 98 |
Redundancy | 5.8 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | HAMPTON RESEARCH INDEX H12: 30% PEG 2000 MME, 150MM KBR, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K; 18 hour soak in reservoir solution containing 1mM actinonin |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | HAMPTON RESEARCH INDEX H12: 30% PEG 2000 MME, 150MM KBR, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K; 18 hour soak in reservoir solution containing 1mM actinonin |