2V2Z
IspE in complex with ADP and CDPME
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 3 |
Unit cell lengths | 136.994, 136.994, 136.994 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.560 - 2.250 |
R-factor | 0.204 |
Rwork | 0.202 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.168 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.130 | 0.490 |
Number of reflections | 40884 | |
<I/σ(I)> | 12.1 | 2.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1 M MES PH 6.5, 0.2 M NACL AND 1.5 M (NH4)2SO4 |