1A4B

AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 6.5 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	C 2 2 21
Unit cell lengths	74.560, 73.570, 97.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.910
R-factor	0.2015
Rwork	0.202
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aza
RMSD bond length	0.011
RMSD bond angle	2.800
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.740	1.980
High resolution limit [Å]	1.910	1.910
Rmerge	0.091	0.395
Total number of observations	69710 *
Number of reflections	21288
<I/σ(I)>	5.8	1.8
Completeness [%]	99.2	93.4
Redundancy	3.3	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	10 (mg/ml)
2	1	drop	ammonium sulfate	2.05 (M)
3	1	drop	sodium potassium phosphate	0.1 (M)
4	1	reservoir	ammonium sulfate	65 (%)