4EX7
Crystal structure of the alnumycin P phosphatase in complex with free phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.256, 63.228, 63.491 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.430 - 1.500 |
R-factor | 0.14584 |
Rwork | 0.144 |
R-free | 0.18578 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | native AlnB |
RMSD bond length | 0.011 |
RMSD bond angle | 1.515 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.430 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.114 | 0.211 |
Number of reflections | 31272 | |
<I/σ(I)> | 11.2 | 3.8 |
Completeness [%] | 98.4 | 90.1 |
Redundancy | 3.8 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 30% PEG1500, 0.1M MIB buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |