5T7Z
Monoclinic crystal form of the EpoB NRPS cyclization-docking bidomain from Sorangium cellulosum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97917 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.768, 90.115, 63.337 |
| Unit cell angles | 90.00, 102.74, 90.00 |
Refinement procedure
| Resolution | 36.404 - 2.030 |
| R-factor | 0.1821 |
| Rwork | 0.180 |
| R-free | 0.21160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | R32 EpoBcy |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.645 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.451 | |
| Number of reflections | 35020 | |
| <I/σ(I)> | 8.8 | 2 |
| Completeness [%] | 98.4 | 92.4 |
| Redundancy | 3.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | Protein at 20 mg mL-1 was incubated with 10 mM acetyl coenzyme A and 30 mM 2-methyl-thiazole-4-carboxylic acid ethyl ester (Synthonix, Wake Forest, NC). Well solution: 56% tacsimate (pH 7.0; Hampton Research, Aliso Viejo, CA) and 1% PEG 1,500 |
