1BKP

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	1995-07
Detector	RIGAKU
Spacegroup name	P 1 21 1
Unit cell lengths	59.940, 81.630, 64.790
Unit cell angles	90.00, 92.52, 90.00

Refinement procedure

Resolution	48.300 - 1.700
R-factor	0.151
Rwork	0.151
R-free	0.20600
Structure solution method	MIR/MR
Starting model (for MR)	HOMOLOGY MODEL BASED ON 1TJS
RMSD bond length	0.006
RMSD bond angle	24.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.843)
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.750
High resolution limit [Å]	1.700	1.700
Rmerge	0.086	0.315
Total number of observations	208765 *
Number of reflections	60767
<I/σ(I)>	13.2	3.1
Completeness [%]	88.9	56.5
Redundancy	5.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	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	reservoir		20 (mM)