1NUB

HELIX C DELETION MUTANT OF BM-40 FS-EC DOMAIN PAIR

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-07
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	51.860, 88.140, 153.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.800
R-factor	0.255
Rwork	0.255
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	BM-40 FS/EC DOMAIN PAIR WITH RESIDUES 168-208 REMOVED
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.920
High resolution limit [Å]	2.800	2.800
Rmerge	0.106	0.445
Total number of observations	98015 *
Number of reflections	17878
<I/σ(I)>	6.6	1.8
Completeness [%]	99.2	99.5 *
Redundancy	5.5	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		protein solution was mixed with an equal volume of reservoir solution in the drop *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		2 (mM)
4	1	reservoir	PEG4000	12-14 (%(w/v))
5	1	reservoir	2-propanol	10 (%(v/v))
6	1	reservoir	Na-HEPES	100 (mM)