5YPP
Crystal structure of IlvN.Val-1a
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 | 66.030, 80.620, 66.040 |
| Unit cell angles | 90.00, 119.99, 90.00 |
Refinement procedure
| Resolution | 33.022 - 1.900 |
| R-factor | 0.1503 |
| Rwork | 0.148 |
| R-free | 0.17030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2lvw |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.565 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.13-2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.200 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.042 | 0.444 |
| Rmeas | 0.057 | 0.601 |
| Rpim | 0.039 | 0.402 |
| Number of reflections | 47251 | 3094 |
| <I/σ(I)> | 15.1 | 2.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.999 | 0.672 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 288 | 0.2M Sodium acetate trihydrate, 0.1M Tris HCl, pH 8.5, 30% PEG 4000 |
