4A2N
Crystal Structure of Ma-ICMT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-04 |
Detector | ADSC CCD |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 114.920, 114.920, 169.291 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.947 - 3.400 |
R-factor | 0.24 |
Rwork | 0.238 |
R-free | 0.27490 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.341 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.540 | 3.580 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.130 | 0.860 |
Number of reflections | 9625 | |
<I/σ(I)> | 9.3 | 2.1 |
Completeness [%] | 98.3 | 99 |
Redundancy | 6.7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1 M AMMONIUM SULPHATE, 0.3 M SODIUM FORMATE, 0.1 M SODIUM CACODYLATE PH 6.5, 3% (V/V) POLYGLUTAMIC ACID AND 20%-26% (W/V) PEG 550 MME |