5IAT
Mechanistic and Structural Analysis of Substrate Recognition and Cofactor Binding by an Unusual Bacterial Prolyl Hydroxylase - apo-BaP4H
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-21 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.563, 80.117, 103.827 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.279 - 1.670 |
| R-factor | 0.1766 |
| Rwork | 0.175 |
| R-free | 0.21110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3itq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.192 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.280 | 1.760 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.042 | 0.460 |
| Number of reflections | 50418 | |
| <I/σ(I)> | 27.1 | 3.2 |
| Completeness [%] | 99.5 | 96.5 |
| Redundancy | 6.9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 40 mM KH2PO4 pH 6, 14 % PEG 8000, 20 % Glycerol |
