5YPY
Crystal structure of IlvN. Val-1c
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 | C 1 2 1 |
| Unit cell lengths | 110.519, 74.510, 63.270 |
| Unit cell angles | 90.00, 97.58, 90.00 |
Refinement procedure
| Resolution | 44.250 - 1.966 |
| R-factor | 0.2001 |
| Rwork | 0.198 |
| R-free | 0.24190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2lvw |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.430 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.13-2998-000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.720 | 2.010 |
| High resolution limit [Å] | 1.966 | 1.970 |
| Rmerge | 0.107 | 0.666 |
| Rmeas | 0.893 | |
| Rpim | 0.096 | 0.589 |
| Number of reflections | 36151 | 2421 |
| <I/σ(I)> | 5.2 | 1.1 |
| Completeness [%] | 99.7 | 95.7 |
| Redundancy | 4 | 3.5 |
| CC(1/2) | 0.993 | 0.764 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 288 | 1.6M Sodium citrate tribasic dihydrate, pH 6.5 |
