1FBQ

HEAT SHOCK TRANSCRIPTION FACTOR DNA BINDING DOMAIN CONTAINING THE P237K MUTATION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-23
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 2
Unit cell lengths	57.120, 63.160, 50.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.370 - 2.000
R-factor	0.211
Rwork	0.211
R-free	0.26300
RMSD bond length	0.014
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.039	0.076
Total number of observations	42447 *
Number of reflections	11735
<I/σ(I)>	15.6
Completeness [%]	91.6	56.2
Redundancy	3.6	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	277	100 mM Citrate buffer pH 6.0 29% Polyethylene glycol average molecular weight 4000 50 mM Ammonium acetate, pH 6.1, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	22-30 (%)
2	1	reservoir	ammonium acetate	50-200 (mM)
3	1	reservoir	citrate	100 (mM)	pH5.6-6.2