4JAY
Crystal structure of P. aeruginosa MurB in complex with NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9762 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 153.700, 154.350, 64.470 |
Unit cell angles | 90.00, 102.26, 90.00 |
Refinement procedure
Resolution | 54.330 - 2.230 |
R-factor | 0.2243 |
Rwork | 0.223 |
R-free | 0.25780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2mbr |
RMSD bond length | 0.014 |
RMSD bond angle | 1.700 |
Data reduction software | PROCESS |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 107.643 | 54.272 | 2.350 |
High resolution limit [Å] | 2.230 | 7.060 | 2.230 |
Rmerge | 0.140 | 0.686 | |
Total number of observations | 7684 | 26063 | |
Number of reflections | 69794 | ||
<I/σ(I)> | 3.8 | 3.5 | 0.8 |
Completeness [%] | 98.2 | 99.1 | 95.7 |
Redundancy | 3 | 3.4 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M bis-tris propane pH 7.0, 0.2 M sodium potassium tartrate, 15% w/v PEG 3350, 2 mM NADPH, VAPOR DIFFUSION, HANGING DROP, temperature 293K |