4H2Q
structure of MHPCO-5HN complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-25 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 49.338, 131.140, 132.282 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.795 - 1.502 |
R-factor | 0.1674 |
Rwork | 0.166 |
R-free | 0.19240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gmb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.447 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.510 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.067 | 0.437 |
Number of reflections | 71338 | |
<I/σ(I)> | 15.4 | 5.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 8% PEG 8000, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |