3BIR
DISECTING HISTIDINE INTERACTIONS IN RIBONUCLEASE T1 BY ASN AND GLN SUBSTITUTIONS
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-11-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.160, 46.880, 50.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bir |
| RMSD bond length | 0.028 |
| RMSD bond angle | 26.200 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((ROTAVATA)) |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.380 |
| High resolution limit [Å] | 1.800 * | 1.800 * |
| Rmerge | 0.107 * | |
| Total number of observations | 28974 * | |
| Number of reflections | 8680 * | |
| <I/σ(I)> | 5.5 | 3.1 |
| Completeness [%] | 98.8 * | 95.8 * |
| Redundancy | 5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.2 | VAPOR DIFFUSION, NAOAC PH 4.2, 20 MG/ML PROTEIN, 45 % MPD 2.5 MM CACL2, 20 MM GPS |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | reservoir | 50 (mM) | ||
| 3 | 1 | reservoir | MPD | 45 (%) | |
| 4 | 1 | reservoir | 2'-GMP | 0.125 (%) | |
| 5 | 1 | reservoir | 1.25 (%) |
