2HEG
Phospho-Aspartyl Intermediate Analogue of Apha class B acid phosphatase/phosphotransferase
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 | 2006-05-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.939239 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.428, 66.631, 90.103 |
Unit cell angles | 90.00, 119.85, 90.00 |
Refinement procedure
Resolution | 51.230 - 1.500 |
R-factor | 0.16643 |
Rwork | 0.164 |
R-free | 0.18943 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB code 2B82 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.125 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.230 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.068 | 0.358 |
Number of reflections | 75720 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 279 | reservoir: Na acetate 50mM, PEG6000 18% (w/v), 0.6% Spermine (w/v) protein concentration: 3.5 mg/ml, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 279K |