4JB1
Crystal structure of P. aeruginosa MurB in complex with NADP+
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 | 2012-10-09 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9334 |
Spacegroup name | P 61 |
Unit cell lengths | 88.710, 88.710, 100.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.390 - 2.100 |
R-factor | 0.1831 |
Rwork | 0.180 |
R-free | 0.23630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2mbr |
RMSD bond length | 0.019 |
RMSD bond angle | 2.125 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.1.26) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 76.825 | 50.110 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.117 | 0.043 | 0.717 |
Total number of observations | 2486 | 16542 | |
Number of reflections | 26203 | ||
<I/σ(I)> | 13.1 | 39.9 | 2.9 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 7.6 | 6.9 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 40 mM potassium phosphate, 20% v/v glycerol, 16% w/v PEG 8000 and 2 mM Tris-buffered NADP+ sodium salt, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |