3KRE
Crystal structure of phosphoribosylaminoimidazole-succinocarboxamide synthase from Ehrlichia chaffeensis at 1.8A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-09 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.960, 61.920, 68.200 |
| Unit cell angles | 90.00, 117.99, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.155 |
| Rwork | 0.153 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ywv modified with CCP4 program CHAINSAW |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.486 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.056 | 0.472 |
| Number of reflections | 24514 | |
| <I/σ(I)> | 21.59 | 2.8 |
| Completeness [%] | 94.1 | 82.4 |
| Redundancy | 4.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | EBS SCREEN JCSG+ G1: 100MM HEPES PH 7.0, 30% JEFFAMINE ED-2001; EHCHA.00530.A AT 50MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K |
