1A4C

AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 3.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	99.600, 100.010, 53.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.450
R-factor	0.2093
Rwork	0.209
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aza
RMSD bond length	0.011
RMSD bond angle	2.850
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.740	1.980
High resolution limit [Å]	2.450 *	1.910
Rmerge	0.059 *	0.182 *
Total number of observations	59933 *
Number of reflections	19093 *
<I/σ(I)>	5.8	1.8
Completeness [%]	95.3 *	89 *
Redundancy	3.1 *	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	21 *	pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.5 (mg/ml)
2	1	drop	ammonium sulfate	2.0 (M)
3	1	drop		0.5 (M)
4	1	drop	acetate	0.1 (M)
5	1	reservoir	ammonium sulfate	2.5 (M)
6	1	reservoir		0.7 (M)
7	1	reservoir	acetate	0.14 (M)