4MEB
Crystal structure of aCif-D158S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-25 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.109, 42.511, 86.907 |
Unit cell angles | 90.00, 98.38, 90.00 |
Refinement procedure
Resolution | 40.850 - 2.000 |
R-factor | 0.1568 |
Rwork | 0.155 |
R-free | 0.19690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mea |
RMSD bond length | 0.007 |
RMSD bond angle | 1.027 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.850 |
High resolution limit [Å] | 2.000 |
Number of reflections | 40969 |
Completeness [%] | 96.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 291 | 250 mM monopotassium phosphate, 100 mM sodium citrate, 20% PEG 4000, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |