1A4C
AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 3.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 99.600, 100.010, 53.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.450 |
| R-factor | 0.2093 |
| Rwork | 0.209 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aza |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.850 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | X-PLOR (3.8) |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.740 | 1.980 |
| High resolution limit [Å] | 2.450 * | 1.910 |
| Rmerge | 0.059 * | 0.182 * |
| Total number of observations | 59933 * | |
| Number of reflections | 19093 * | |
| <I/σ(I)> | 5.8 | 1.8 |
| Completeness [%] | 95.3 * | 89 * |
| Redundancy | 3.1 * | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 21 * | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3.5 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | 2.0 (M) | |
| 3 | 1 | drop | 0.5 (M) | ||
| 4 | 1 | drop | acetate | 0.1 (M) | |
| 5 | 1 | reservoir | ammonium sulfate | 2.5 (M) | |
| 6 | 1 | reservoir | 0.7 (M) | ||
| 7 | 1 | reservoir | acetate | 0.14 (M) |
