3IOF
Crystal structure of CphA N220G mutant with inhibitor 10a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-01-25 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 42.650, 100.660, 116.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.590 - 1.440 |
| R-factor | 0.12377 |
| Rwork | 0.123 |
| R-free | 0.14145 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x8g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.579 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.630 | 1.510 |
| High resolution limit [Å] | 1.436 | 1.436 |
| Number of reflections | 46231 | |
| <I/σ(I)> | 40.7 | 16.3 |
| Completeness [%] | 99.6 | 97.8 |
| Redundancy | 11.6 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 2.4M (NH4)2SO4, 100mM MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
