1SUA

SUBTILISIN BPN'

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1994-07
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	53.530, 60.330, 83.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.18 *
Rwork	0.180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1suc
RMSD bond length	0.020
RMSD bond angle	0.032
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	AMoRE
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.190
High resolution limit [Å]	2.100	2.100
Rmerge	0.120 *	0.370 *
Total number of observations	39158 *
Number of reflections	13358
<I/σ(I)>	6	1
Completeness [%]	82.0	91 *
Redundancy	3	0.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		1.25M LI2SO4 0.1M HEPES/HCL PH7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	HEPES/HCl	0.055 (M)
3	1	drop		0.625 (M)
4	1	reservoir	HEPES/HCl	0.1 (M)
5	1	reservoir		1.25 (M)