5MU9
MOA-E-64 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 120.934, 120.934, 99.851 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.380 - 1.300 |
R-factor | 0.14823 |
Rwork | 0.146 |
R-free | 0.18277 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ef2 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.278 |
Data reduction software | XDS (VERSION September 26, 2012) |
Data scaling software | XDS (VERSION September 26, 2012) |
Phasing software | PHASER (2.5.1) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.380 | 1.380 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.070 | 0.500 |
Number of reflections | 99395 | |
<I/σ(I)> | 14.9 | 1.9 |
Completeness [%] | 94.2 | 71.3 |
Redundancy | 5.2 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293.15 | 0.1 M imidazole pH 8.0, 15% PEG 8000, 7.5% DMSO and 0.2 M calcium acetate |