4CP5
ndpK in complex with (Rp)-SPMPApp
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.008, 105.790, 70.576 |
| Unit cell angles | 90.00, 117.23, 90.00 |
Refinement procedure
| Resolution | 33.430 - 2.320 |
| R-factor | 0.2012 |
| Rwork | 0.199 |
| R-free | 0.24630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c6a |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.430 | 2.400 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.060 | 0.490 |
| Number of reflections | 38673 | |
| <I/σ(I)> | 13.17 | 2.83 |
| Completeness [%] | 97.8 | 96.6 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 26% PEG 1000 100MM TRIS PH7.5 |
