1A19

BARSTAR (FREE), C82A MUTANT

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1996-12
Detector	MARRESEARCH
Spacegroup name	I 41
Unit cell lengths	104.182, 104.182, 36.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.760
R-factor	0.203
Rwork	0.203
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1BGS 1brs
RMSD bond length	0.008
RMSD bond angle	26.800 *
Data reduction software	MARXDS
Data scaling software	MARSCALE
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.900
High resolution limit [Å]	2.760	2.800
Rmerge	0.076	0.050
Number of reflections	4796
<I/σ(I)>	33
Completeness [%]	99.0 *	50
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	20 *	C82A MUTANT WAS CRYSTALLIZED FROM 40-60% AMMONIUM SULFATE, 50MM PHOSPHATE, PH=6.5. PROTEIN CONC=45 MG/ML. C40A AND DTNB LABELLED CRYSTALS ALSO CRYSTALLIZED BUT DID NOT DIFFRACT TO HIGH RESOLUTION.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	22.5 (mg/ml)
2	1	drop	phosphate	50 (mM)
3	1	drop	ammonium sulfate	20-30 (%)