5EIA
mACHE-anti TZ2PA5 complex from a 1:6 mixture of the syn/anti isomers
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 | 2006-06-26 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.931 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.470, 112.520, 226.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 2.700 |
R-factor | 0.1765 |
Rwork | 0.176 |
R-free | 0.20810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j06 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.606 | |
Number of reflections | 56257 | |
<I/σ(I)> | 16.9 | 3.2 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 4.1 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 25-35% PEG 550 MME or PEG600, 60-100 mM Hepes or sodium acetate |