2KMB
COMPLEX OF 3'-NEUAC-LEWIS-X WITH A SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-04-05 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 79.100, 85.000, 98.800 |
Unit cell angles | 90.00, 107.10, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.000 |
R-factor | 0.19 |
Rwork | 0.190 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rtm |
RMSD bond length | 0.007 |
RMSD bond angle | 21.900 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.54) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.264 |
Number of reflections | 41761 | |
<I/σ(I)> | 10.6 | 3.7 |
Completeness [%] | 98.6 | 93.2 |
Redundancy | 2.4 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.8 | 22 * | 8-10% PEG 8000, 2% PEG 1000, 1 MM TRIS-CL, PH 7.8, 200 MM NACL, 20 MM CACL2, 2 MM NAN3. PRIOR TO DATA COLLECTION, THE CRYSTAL WAS ADAPTED TO THE MOTHER LIQUOR PLUS 20% MPD PLUS 80 MM 3'-NEUAC-LEWIS-X. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | 25 (mM) | ||
10 | 1 | reservoir | PEG8000 | 8-10 (%(w/v)) | |
11 | 1 | reservoir | PEG1000 | 2 (%) | |
12 | 1 | reservoir | Tris-HCl | 100 (mM) | |
13 | 1 | reservoir | 200 (mM) | ||
14 | 1 | reservoir | 20 (mM) | ||
15 | 1 | reservoir | 2 (mM) | ||
2 | 1 | drop | 2.5 (mM) | ||
3 | 1 | drop | protein | 1 (mg/ml) | |
4 | 1 | drop | PEG8000 | 4-5 (%(w/v)) | |
5 | 1 | drop | PEG1000 | 1 (%) | |
6 | 1 | drop | Tris-HCl | 50 (mM) | |
7 | 1 | drop | 100 (mM) | ||
8 | 1 | drop | 10 (mM) | ||
9 | 1 | drop | 1 (mM) |