1TZP
MEPA, inactive form without ZN in P21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-26 |
Detector | MARRESEARCH |
Wavelength(s) | 1.05 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.949, 115.143, 49.154 |
Unit cell angles | 90.00, 94.08, 90.00 |
Refinement procedure
Resolution | 19.730 - 1.400 |
R-factor | 0.18447 |
Rwork | 0.183 |
R-free | 0.20610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | A partial model of MEPA in a different crystal form |
RMSD bond length | 0.013 |
RMSD bond angle | 1.514 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.036 | 0.129 |
Number of reflections | 91010 | |
<I/σ(I)> | 10 | 5.5 |
Completeness [%] | 91.3 | 94.3 |
Redundancy | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | ammonium sulfate, MES, PEG monomethyl ether 5000, 1,4-butanediol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |