1BSF

THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1996-06
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	58.982, 95.962, 143.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.000 - 2.200
R-factor	0.195
Rwork	0.195
R-free	0.30100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HOMOLOGY MODEL BASED ON 1TJS
RMSD bond length	0.007
RMSD bond angle	27.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.854)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.084 *	0.287 *
Total number of observations	82603 *
Number of reflections	31281 *
<I/σ(I)>	6.9	1.6
Completeness [%]	23.1	19.4
Redundancy	2.6	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	22 *	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	Tris-HCl	20 (mM)
3	1	drop	EDTA	0.1 (mM)
4	1	drop	dithiothreitol	1 (mM)