5YPW
Crystal structure of IlvN.Val-1b
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-30 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.040, 74.670, 88.810 |
Unit cell angles | 90.00, 99.37, 90.00 |
Refinement procedure
Resolution | 47.791 - 2.300 |
R-factor | 0.1853 |
Rwork | 0.183 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2lvw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
Data reduction software | iMOSFLM (7.2.1) |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((v1.13_2998)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.200 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.119 | 0.635 |
Rmeas | 0.876 | |
Rpim | 0.114 | 0.600 |
Number of reflections | 36346 | 3568 |
<I/σ(I)> | 5.9 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.7 | 3.7 |
CC(1/2) | 0.991 | 0.775 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.6 | 288 | 0.2M ammonium acetate, 0.1M Sodium citrate tribasic dihydrate, pH5.6, 30% PEG 4000 |