6NM8
IgV-V76T BMS compound 105
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-13 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0003 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 33.455, 54.604, 141.272 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.263 - 2.792 |
R-factor | 0.1999 |
Rwork | 0.195 |
R-free | 0.30410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6np9 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
High resolution limit [Å] | 2.792 | 7.590 | 2.800 |
Rmerge | 0.120 | 0.071 | 0.592 |
Rmeas | 0.126 | 0.074 | 0.617 |
Rpim | 0.036 | 0.021 | 0.172 |
Number of reflections | 6839 | 372 | 322 |
<I/σ(I)> | 6.4 | ||
Completeness [%] | 99.3 | 90.3 | 100 |
Redundancy | 11.7 | 9.9 | 12.6 |
CC(1/2) | 0.998 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 29% PEG 4000, 0.28 M NaCl, 0.01 M Tris |