1KOQ
NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.230, 74.940, 62.380 |
| Unit cell angles | 90.00, 93.87, 90.00 |
Refinement procedure
| Resolution | 5.000 - 1.900 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.27100 |
| Structure solution method | REFINEMENT |
| Starting model (for MR) | NGCA COMPLEX WITH AZIME |
| RMSD bond length | 0.006 |
| RMSD bond angle | 26.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 35.000 * |
| High resolution limit [Å] | 1.900 |
| Rmerge | 0.072 |
| Total number of observations | 65932 * |
| Number of reflections | 28517 |
| Completeness [%] | 83.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.8 | 6% PEG 3,350; 50MM TRIS; 0.1 M LI2SO4;2.2 MM BME; 2.2 MM NAN3; 10% DMSO, pH 7.8 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 0.01 (mg/ml) | |
| 2 | 1 | reservoir | Tris-SO4 | 40 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 50 (mM) | |
| 4 | 1 | reservoir | 30 (mM) | ||
| 5 | 1 | reservoir | 2.2 (mM) | ||
| 6 | 1 | reservoir | 2-mercaptoethanol | 2.2 (mM) | |
| 7 | 1 | reservoir | dimethylsulfoxide | 9-10 (%(v/v)) | |
| 8 | 1 | reservoir | PEG3350 | 16-18 (%(w/v)) |
