5NCH
GriE apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-26 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54183 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.365, 69.837, 98.378 |
| Unit cell angles | 90.00, 90.18, 90.00 |
Refinement procedure
| Resolution | 40.490 - 1.819 |
| R-factor | 0.1743 |
| Rwork | 0.172 |
| R-free | 0.21280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Ensembled model from: 3EMR 2a1x 2fct 3gjb 2opw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.810 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_2689) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.378 | 1.850 |
| High resolution limit [Å] | 1.819 | 1.819 |
| Rmerge | 0.081 | 0.711 |
| Rpim | 0.050 | 0.459 |
| Number of reflections | 46652 | 2299 |
| <I/σ(I)> | 11.4 | 2.2 |
| Completeness [%] | 86.3 | 84 |
| Redundancy | 3.5 | 3.4 |
| CC(1/2) | 0.997 | 0.786 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 285 | 20.8 % (w/v) PEG 4000, 0.233 M LiSO4, 0.1 M HEPES/NaOH pH 7.5 |
