1B21

DELETION OF A BURIED SALT BRIDGE IN BARNASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-13
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-05
Detector	MARRESEARCH
Spacegroup name	P 32
Unit cell lengths	57.780, 57.780, 81.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.000 - 2.000
R-factor	0.188 *
Rwork	0.188
R-free	0.26800
Structure solution method	OTHER
RMSD bond length	0.006
RMSD bond angle	0.022
Data reduction software	iMOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.320	2.120
High resolution limit [Å]	2.000 *	2.010
Rmerge	0.067	0.144
Number of reflections	18526
<I/σ(I)>	10.06	5.1
Completeness [%]	91.4	59.3
Redundancy	1.8	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	288 *	DROP: 8-12 MG/ML PROTEIN 6 MM ZNSO4 0.6 M (NH4)2SO4 WELL: 2.58-2.73 M AMMONIUM PHOSPHATE BUFFER, PH 7.5 1-2 MM ZNSO4 0.15-0.30 M (NH4)2SO4 5-10 MM NH4OH

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	ZN SULFATE
2	1	1	NH4 SULFATE
3	1	2	ZN SULFATE
4	1	2	NH4 SULFATE
5	1	2	NH4OH
6	1	2	NH4 PHOSPHATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8-12 (mg/ml)
2	1	drop		6 (mM)
3	1	drop	ammonium sulfate	0.1 (M)
4	1	reservoir	ammonium phosphate	2.58-2.73 (M)
5	1	reservoir		1-2 (mM)
6	1	reservoir	ammonium sulfate	0.15-0.30 (M)
7	1	reservoir		5-10 (mM)