5XM6
the overall structure of VrEH2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 109.180, 109.180, 236.967 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.532 - 2.501 |
R-factor | 0.1822 |
Rwork | 0.180 |
R-free | 0.22310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cjp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.119 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CCP4i (6.3.0) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rpim | 0.031 | |
Number of reflections | 50435 | 4938 |
<I/σ(I)> | 8.25 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 27.9 | 29.5 |
CC(1/2) | 0.987 | 0.987 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 285 | PEG 20000, PEG500MME, HEPES, Mops, sodium nitrate, ammonium sulfate, disodium hydrogen phosphate. |