5NBX
ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-9]-OH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-19 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.918410 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 90.214, 131.615, 35.704 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.190 - 1.650 |
| R-factor | 0.168 |
| Rwork | 0.167 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n9c |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.256 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmeas | 0.086 | 0.746 |
| Number of reflections | 25469 | 3505 |
| <I/σ(I)> | 12.73 | 1.58 |
| Completeness [%] | 97.3 | 85.3 |
| Redundancy | 4.1 | 2.8 |
| CC(1/2) | 0.998 | 0.607 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 2.0M ammonium sulfate, 300mM potassium bromide |
